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ChEMBL ligand: CHEMBL114 (Fortovase, Invirase, Ro-31-8959, RO 31-8959/000, Saquinavir, Saquinavirum, SCH-52852) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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ABCG2/ATP-binding cassette sub-family G member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0] | ||||||||
ChEMBL | TP_TRANSPORTER: increase in mitoxantrone intracellular accumulation in BCRP-expressing HEK cells | F | 4.71 | pIC50 | 19500 | nM | IC50 | J Pharmacol Exp Ther (2004) 310: 334-341 [PMID:15007102] |
Chloroquine resistance transporter in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1795182] [UniProtKB: Q9N623] | ||||||||
ChEMBL | Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocyte assessed as inhibition of [3H]chloroquine uptake measured from 1 to 2 hrs | B | 4.89 | pIC50 | 13000 | nM | IC50 | J Med Chem (2012) 55: 6948-6967 [PMID:22783984] |
ChEMBL | Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes assessed as reduction in [3H]-chloroquine uptake after 1.5 to 2 hrs | B | 4.89 | pIC50 | 13000 | nM | IC50 | J Med Chem (2012) 55: 10387-10404 [PMID:23145816] |
δ receptor/Delta opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL236] [GtoPdb: 317] [UniProtKB: P41143] | ||||||||
ChEMBL | DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole) | B | 5 | pKi | 9930 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole) | B | 4.55 | pIC50 | 28168 | nM | IC50 | DrugMatrix in vitro pharmacology data |
D3 receptor/Dopamine D3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL234] [GtoPdb: 216] [UniProtKB: P35462] | ||||||||
ChEMBL | DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone) | B | 5.28 | pKi | 5219 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone) | B | 4.81 | pIC50 | 15366 | nM | IC50 | DrugMatrix in vitro pharmacology data |
DAT/Dopamine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL238] [GtoPdb: 927] [UniProtKB: Q01959] | ||||||||
ChEMBL | DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) | B | 4.55 | pKi | 27885 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) | B | 4.45 | pIC50 | 35097 | nM | IC50 | DrugMatrix in vitro pharmacology data |
Human immunodeficiency virus type 1 protease in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL243] [UniProtKB: Q72874] | ||||||||
ChEMBL | Binding affinity to HIV-1 Aspartic Protease | B | 7.17 | pKd | 67.4 | nM | Kd | J Med Chem (2019) 62: 10005-10025 [PMID:31188592] |
ChEMBL | Equilibrium constant for the interaction between inhibitor and HIV-1 Protease | B | 9.5 | pKd | 0.32 | nM | Kd | J Med Chem (2002) 45: 5430-5439 [PMID:12459011] |
ChEMBL | Binding affinity for human immunodeficiency virus type 1 protease | B | 9.51 | pKd | 0.31 | nM | Kd | J Med Chem (2004) 47: 5953-5961 [PMID:15537350] |
ChEMBL | Inhibition of HIV1 recombinant protease L10I/L24I/L33F/M46L/154V/L63P/A71V/V82A/I84V mutant expressed in Escherichia coli by spectrophotometric assay | B | 6.74 | pKi | 180 | nM | Ki | J Med Chem (2008) 51: 4839-4843 [PMID:18598016] |
ChEMBL | Dissociation constant obtained by inhibition of mutant HIV-protease (V-18) | B | 6.93 | pKi | 117 | nM | Ki | J Med Chem (2000) 43: 3386-3399 [PMID:10978186] |
ChEMBL | Inhibition of HIV1 recombinant protease L10F/L19I/K20R/L33F/E35D/M36I/R41K/F53L/I54V/L63P/H69K/A71V/T74P/I84V/L89M/L90M/I93L mutant expressed in Escherichia coli by spectrophotometric assay | B | 7.15 | pKi | 71 | nM | Ki | J Med Chem (2008) 51: 4839-4843 [PMID:18598016] |
ChEMBL | Dissociation constant obtained by inhibition of mutant HIV-protease (A-44) | B | 7.82 | pKi | 15 | nM | Ki | J Med Chem (2000) 43: 3386-3399 [PMID:10978186] |
ChEMBL | Inhibition of HIV1 recombinant protease M46I/A71V/V82T/I84V mutant expressed in Escherichia coli by spectrophotometric assay | B | 7.89 | pKi | 13 | nM | Ki | J Med Chem (2008) 51: 4839-4843 [PMID:18598016] |
ChEMBL | Inhibition of HIV1 recombinant protease A71V/V82T/I84V mutant expressed in Escherichia coli by spectrophotometric assay | B | 7.92 | pKi | 12 | nM | Ki | J Med Chem (2008) 51: 4839-4843 [PMID:18598016] |
ChEMBL | Inhibition of HIV1 protease V32I mutant by competitive binding | B | 8.05 | pKi | 9 | nM | Ki | J Med Chem (2008) 51: 6599-6603 [PMID:18808097] |
ChEMBL | Dissociation constant obtained by inhibition of mutant HIV-protease (K-60) | B | 8.43 | pKi | 3.7 | nM | Ki | J Med Chem (2000) 43: 3386-3399 [PMID:10978186] |
ChEMBL | Inhibition of HIV1 recombinant protease L10I/I15V/E35D/N37S/R41K/I62V/L63P/A71V/G73S/L90M mutant expressed in Escherichia coli by spectrophotometric assay | B | 8.54 | pKi | 2.9 | nM | Ki | J Med Chem (2008) 51: 4839-4843 [PMID:18598016] |
ChEMBL | Compound was evaluated for binding affinity against HIV protease | B | 8.85 | pKi | 1.4 | nM | Ki | Bioorg Med Chem Lett (1998) 8: 979-982 [PMID:9871524] |
ChEMBL | Inhibition of HIV1 recombinant protease D30N/N88D mutant expressed in Escherichia coli by spectrophotometric assay | B | 9.29 | pKi | 0.51 | nM | Ki | J Med Chem (2008) 51: 4839-4843 [PMID:18598016] |
ChEMBL | Inhibitory activity against P2 site in HIV protease. | B | 9.34 | pKi | 0.45 | nM | Ki | Bioorg Med Chem Lett (1996) 6: 585-588 |
ChEMBL | Binding affinity to inhibit the purified wild-type HIV-1 Protease | B | 9.6 | pKi | 0.25 | nM | Ki | J Med Chem (1997) 40: 181-191 [PMID:9003516] |
ChEMBL | Affinity against HIV protease | B | 9.6 | pKi | 0.25 | nM | Ki | J Med Chem (1997) 40: 4079-4088 [PMID:9406598] |
ChEMBL | Inhibitory activity against HIV-1 protease | B | 9.6 | pKi | 0.25 | nM | Ki | J Med Chem (1996) 39: 4299-4312 [PMID:8863807] |
ChEMBL | Inhibition constant for human immunodeficiency virus type 1 protease | B | 9.64 | pKi | 0.23 | nM | Ki | J Med Chem (2004) 47: 5953-5961 [PMID:15537350] |
ChEMBL | Inhibitory concentration against HIV-1 protease | B | 9.64 | pKi | 0.23 | nM | Ki | J Med Chem (2001) 44: 3083-3091 [PMID:11543677] |
ChEMBL | Inhibition constant against HIV-1 Protease | B | 9.64 | pKi | 0.23 | nM | Ki | J Med Chem (2002) 45: 5430-5439 [PMID:12459011] |
ChEMBL | Inhibition of HIV1 recombinant protease V32I/I47A mutant expressed in Escherichia coli by spectrophotometric assay | B | 9.66 | pKi | 0.22 | nM | Ki | J Med Chem (2008) 51: 4839-4843 [PMID:18598016] |
ChEMBL | Inhibitory activity against HIV-1 protease | B | 9.72 | pKi | 0.19 | nM | Ki | J Med Chem (2003) 46: 1764-1768 [PMID:12699395] |
ChEMBL | Binding affinity to HIV-1 protease | B | 9.92 | pKi | 0.12 | nM | Ki | J Med Chem (1994) 37: 1769-1778 [PMID:8021917] |
ChEMBL | Binding activity against HIV-1 Protease | B | 9.92 | pKi | 0.12 | nM | Ki | J Med Chem (1991) 34: 3340-3342 [PMID:1956054] |
ChEMBL | The compound was tested for binding activity against HIV-1 protease | B | 9.92 | pKi | 0.12 | nM | Ki | J Med Chem (1991) 34: 3340-3342 [PMID:1956054] |
ChEMBL | Compound was tested for its inhibitory potency against human immunodeficiency virus -1 (HIV-1 protease); In house preparation | B | 9.92 | pKi | 0.12 | nM | Ki | Bioorg Med Chem Lett (2002) 12: 1993-1996 [PMID:12113826] |
ChEMBL | Dissociation constant obtained by inhibition of Wild-type protease | B | 10.21 | pKi | 0.06 | nM | Ki | J Med Chem (2000) 43: 3386-3399 [PMID:10978186] |
ChEMBL | Inhibition of HIV protease | B | 10.4 | pKi | 0.04 | nM | Ki | Bioorg Med Chem Lett (2000) 10: 1159-1162 [PMID:10866371] |
ChEMBL | Compound was tested for inhibitory activity against HIV-1 protease | B | 6.57 | pIC50 | 270 | nM | IC50 | Bioorg Med Chem Lett (2002) 12: 1763-1766 [PMID:12067556] |
ChEMBL | Inhibitory activity against HIV-1 protease using scintillation proximity assay (SPA assay) | B | 7.35 | pIC50 | 45 | nM | IC50 | Bioorg Med Chem Lett (1998) 8: 931-934 [PMID:9871514] |
ChEMBL | Concentration required for inhibitory activity against HIV-1 Protease | B | 7.52 | pIC50 | 30 | nM | IC50 | Bioorg Med Chem Lett (1993) 3: 1595-1600 |
ChEMBL | Inhibitory activity against HIV-1 Protease | B | 7.95 | pIC50 | 11.2 | nM | IC50 | J Med Chem (1993) 36: 3120-3128 [PMID:8230098] |
ChEMBL | In vitro inhibitory activity against HIV proteinase | B | 7.96 | pIC50 | 11 | nM | IC50 | J Med Chem (1994) 37: 3707-3716 [PMID:7966131] |
ChEMBL | In vivo antiviral activity (IC50) against HIV-1 protease. | B | 8.2 | pIC50 | 6.3 | nM | IC50 | J Med Chem (1996) 39: 3203-3216 [PMID:8759643] |
ChEMBL | Inhibitory activity against HIV-1 protease | B | 8.74 | pIC50 | 1.8 | nM | IC50 | Bioorg Med Chem Lett (1995) 5: 715-720 |
ChEMBL | Inhibitory activity against human immunodeficiency virus protease (HIVP) using protease inhibition assay | B | 8.77 | pIC50 | 1.7 | nM | IC50 | Bioorg Med Chem Lett (1995) 5: 721-726 |
ChEMBL | In vitro inhibition of HIV-1 protease. | B | 9 | pIC50 | 1 | nM | IC50 | Bioorg Med Chem Lett (1995) 5: 2891-2896 |
ChEMBL | Inhibitory concentration required against HIV-1 protease | B | 9 | pIC50 | 1 | nM | IC50 | Bioorg Med Chem Lett (1995) 5: 2885-2890 |
ChEMBL | Inhibition of wild type HIV1 recombinant aspartic protease | B | 9.4 | pIC50 | 0.4 | nM | IC50 | Bioorg Med Chem (2008) 16: 902-908 [PMID:17964171] |
ChEMBL | Inhibitory activity against HIV-1 Protease was determined | B | 9.4 | pIC50 | <0.4 | nM | IC50 | Bioorg Med Chem Lett (1994) 4: 2759-2762 |
ChEMBL | Binding activity against HIV-1 Protease | B | 9.4 | pIC50 | <0.4 | nM | IC50 | J Med Chem (1991) 34: 3340-3342 [PMID:1956054] |
ChEMBL | Tested for inhibitory concentration against HIV-1 protease in experiment 2 | B | 9.4 | pIC50 | 0.4 | nM | IC50 | J Med Chem (1993) 36: 2300-2310 [PMID:8360874] |
ChEMBL | Binding activity against HIV-1 Protease | B | 9.4 | pIC50 | <0.4 | nM | IC50 | J Med Chem (1991) 34: 3340-3342 [PMID:1956054] |
ChEMBL | Inhibitory potency against HIV-1 protease | B | 9.4 | pIC50 | 0.4 | nM | IC50 | J Med Chem (1993) 36: 4152-4160 [PMID:8277496] |
ChEMBL | In vitro inhibition of HIV protease, using a peptide hydrolysis assay | B | 9.47 | pIC50 | 0.34 | nM | IC50 | J Med Chem (1992) 35: 2525-2533 [PMID:1635054] |
ChEMBL | Inhibition of HIV1 protease using H-Val-Ser-Gln-Am-(L-b-naphthyl-alanine)-Pro-Ile-Val-OH as substrate by HPLC method | B | 9.64 | pIC50 | 0.23 | nM | IC50 | J Med Chem (2020) 63: 12290-12358 [PMID:32686940] |
ChEMBL | Tested for inhibitory concentration against HIV-1 protease | B | 9.64 | pIC50 | 0.23 | nM | IC50 | J Med Chem (1993) 36: 2300-2310 [PMID:8360874] |
ChEMBL | Tested against S2-binding site of HIV-1 protease | B | 9.64 | pIC50 | 0.23 | nM | IC50 | J Med Chem (1993) 36: 924-927 [PMID:8464047] |
ChEMBL | Inhibition of HIV-1 protease was determined in vitro | B | 9.64 | pIC50 | 0.23 | nM | IC50 | J Med Chem (1995) 38: 305-317 [PMID:7830273] |
ChEMBL | Inhibitory activity against HIV-1 protease. | B | 9.64 | pIC50 | 0.23 | nM | IC50 | J Med Chem (1998) 41: 836-852 [PMID:9526559] |
ChEMBL | In vitro inhibition HIV-1 IIIB protease. | B | 9.7 | pIC50 | 0.2 | nM | IC50 | Bioorg Med Chem Lett (1994) 4: 2217-2222 |
Human immunodeficiency virus type 2 pol protein in Human immunodeficiency virus 2 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5074] [UniProtKB: P88142] | ||||||||
ChEMBL | Tested for inhibitory concentration against HIV-2 protease | F | 9.3 | pIC50 | 0.5 | nM | IC50 | J Med Chem (1993) 36: 2300-2310 [PMID:8360874] |
Human rhinovirus A protease in Human rhinovirus sp. (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2857] [UniProtKB: Q4U254] | ||||||||
ChEMBL | Compound was evaluated for inhibitory activity against HIV-2 protease | B | 9.3 | pIC50 | 0.5 | nM | IC50 | J Med Chem (1994) 37: 1177-1188 [PMID:8164260] |
κ receptor/Kappa opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL237] [GtoPdb: 318] [UniProtKB: P41145] | ||||||||
ChEMBL | DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine) | B | 5.56 | pKi | 2780 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine) | B | 5.16 | pIC50 | 6951 | nM | IC50 | DrugMatrix in vitro pharmacology data |
μ receptor/Mu opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL233] [GtoPdb: 319] [UniProtKB: P35372] | ||||||||
ChEMBL | DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine) | B | 5.41 | pKi | 3907 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine) | B | 5.02 | pIC50 | 9625 | nM | IC50 | DrugMatrix in vitro pharmacology data |
NK2 receptor/Neurokinin 2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2327] [GtoPdb: 361] [UniProtKB: P21452] | ||||||||
ChEMBL | DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968) | B | 5.68 | pKi | 2071 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968) | B | 5.21 | pIC50 | 6214 | nM | IC50 | DrugMatrix in vitro pharmacology data |
ABCB1/P-glycoprotein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183] | ||||||||
ChEMBL | Inhibition of human MDR1-dependent accumulation of calcein-AM expressed in MDCK2 cells | B | 4 | pIC50 | 100000 | nM | IC50 | Antimicrob Agents Chemother (2007) 51: 3498-3504 [PMID:17664327] |
ChEMBL | Inhibition of P-glycoprotein, human L-MDR1 expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay | F | 4.92 | pIC50 | 12000 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
ChEMBL | TP_TRANSPORTER: inhibition of Calcein-AM efflux in MDR1-expressing LLC-PK1 cells | F | 4.92 | pIC50 | 12000 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
ChEMBL | TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 5 uM) in Caco-2 cells | F | 5.19 | pIC50 | 6500 | nM | IC50 | Drug Metab Dispos (2000) 28: 655-660 [PMID:10820137] |
ChEMBL | Inhibition of P-glycoprotein using calcein-AM assay transfected in porcine PBCEC | F | 5.8 | pIC50 | 1600 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
P-glycoprotein 1 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3467] [UniProtKB: P06795] | ||||||||
ChEMBL | Inhibition of P-glycoprotein, mouse L-mdr1b expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay | F | 4.3 | pIC50 | >50000 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
ChEMBL | TP_TRANSPORTER: inhibition of Calcein-AM efflux in Mdr1b-expressing LLC-PK1 cells | F | 4.3 | pIC50 | >50000 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
ABCB1/P-glycoprotein 3 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2573] [GtoPdb: 768] [UniProtKB: P21447] | ||||||||
ChEMBL | Inhibition of P-glycoprotein, mouse L-mdr1a expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay | F | 4.3 | pIC50 | >50000 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
ChEMBL | TP_TRANSPORTER: inhibition of Calcein-AM efflux in Mdr1a-expressing LLC-PK1 cells | F | 4.3 | pIC50 | >50000 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
ChEMBL | Antimicrobial activity against Plasmodium falciparum at ring stage | F | 5.08 | pIC50 | 8305 | nM | IC50 | Antimicrob Agents Chemother (2008) 52: 2435-2441 [PMID:18443130] |
ChEMBL | Antimalarial activity against Plasmodium falciparum D10 | F | 5.26 | pEC50 | 5500 | nM | EC50 | Antimicrob Agents Chemother (2007) 51: 759-762 [PMID:17088482] |
ChEMBL | Antimicrobial activity against Plasmodium falciparum harboring HFP-tagged Pfs16 protein after 48 hrs | F | 5.3 | pEC50 | 5000 | nM | EC50 | Antimicrob Agents Chemother (2010) 54: 1334-1337 [PMID:20028821] |
ChEMBL | Antimicrobial activity against chloroquine-sensitive Plasmodium falciparum D10 after 48 hrs | F | 5.52 | pEC50 | 3000 | nM | EC50 | Antimicrob Agents Chemother (2010) 54: 1334-1337 [PMID:20028821] |
ChEMBL | Antimicrobial activity against chloroquine-sensitive Plasmodium falciparum 3D7 after 48 hrs | F | 5.52 | pEC50 | 3000 | nM | EC50 | Antimicrob Agents Chemother (2010) 54: 1334-1337 [PMID:20028821] |
ChEMBL | Antimalarial activity against Plasmodium falciparum Dd2 | F | 6.02 | pEC50 | 960 | nM | EC50 | Antimicrob Agents Chemother (2007) 51: 759-762 [PMID:17088482] |
Plasmodium vivax (target type: ORGANISM) [ChEMBL: CHEMBL613013] | ||||||||
ChEMBL | Antimicrobial activity against Plasmodium vivax at trophozoite stage | F | 5.37 | pIC50 | 4230 | nM | IC50 | Antimicrob Agents Chemother (2008) 52: 2435-2441 [PMID:18443130] |
Plasmodium yoelii yoelii (target type: ORGANISM) [ChEMBL: CHEMBL612328] | ||||||||
ChEMBL | Antimicrobial activity against Plasmodium yoelii 265 liver infected in mammalian hepatocytes after 48 hrs | F | 7.45 | pIC50 | 35.2 | nM | IC50 | Antimicrob Agents Chemother (2008) 52: 1215-1220 [PMID:18212104] |
Protease in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2366517] [UniProtKB: Q9YQ12] | ||||||||
ChEMBL | Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 4.1 | B | 8.38 | pKd | 4.13 | nM | Kd | Bioorg Med Chem (2012) 20: 4838-4847 [PMID:22743085] |
ChEMBL | Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 5.1 | B | 9.2 | pKd | 0.64 | nM | Kd | Bioorg Med Chem (2012) 20: 4838-4847 [PMID:22743085] |
ChEMBL | Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 7.4 | B | 9.24 | pKd | 0.58 | nM | Kd | Bioorg Med Chem (2012) 20: 4838-4847 [PMID:22743085] |
ChEMBL | Inhibition of HIV1 protease | B | 8.85 | pKi | 1.4 | nM | Ki | J Med Chem (2009) 52: 2163-2176 [PMID:19323561] |
ChEMBL | Binding affinity to wild type HIV1 protease | B | 9.19 | pKi | 0.65 | nM | Ki | J Med Chem (2012) 55: 1424-1444 [PMID:22239221] |
ChEMBL | Inhibition of wild type HIV1 protease by competitive binding | B | 9.38 | pKi | 0.42 | nM | Ki | J Med Chem (2008) 51: 6599-6603 [PMID:18808097] |
ChEMBL | Inhibition of HIV1 protease using fluorogenic hexapeptide substrate (2-aminobenzoyl)Thr-Ile-Nle-(p-nitro)Phe-Gln-Arg by fluorimeter | B | 9.66 | pKi | 0.22 | nM | Ki | Medchemcomm (2011) 2: 1093-1098 |
ChEMBL | Inhibition of HIV1 protease expressed in Escherichia coli by fluorometric assay | B | 9.7 | pKi | 0.2 | nM | Ki | J Med Chem (2010) 53: 607-615 [PMID:19961222] |
ChEMBL | Inhibition of HIV1 protease | B | 9.86 | pKi | 0.14 | nM | Ki | Bioorg Med Chem (2008) 16: 1299-1308 [PMID:17981045] |
ChEMBL | Inhibition of HIV1 protease | B | 10.1 | pKi | 0.08 | nM | Ki | Antimicrob Agents Chemother (2007) 51: 4036-4043 [PMID:17638694] |
ChEMBL | Inhibition of wild-type HIV1 BH10 protease expressed in Escherichia coli by spectrophotometric assay | B | 10.4 | pKi | 0.04 | nM | Ki | J Med Chem (2008) 51: 4839-4843 [PMID:18598016] |
ChEMBL | Inhibition of recombinant wild type HIV1 protease assessed as hydrolysis of fluorogenic substrate | B | 9.4 | pIC50 | 0.4 | nM | IC50 | J Med Chem (2010) 53: 1451-1457 [PMID:20108932] |
5-HT1A receptor/Serotonin 1a (5-HT1a) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL273] [GtoPdb: 1] [UniProtKB: P19327] | ||||||||
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT) | B | 5.61 | pKi | 2442 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT) | B | 5.37 | pIC50 | 4273 | nM | IC50 | DrugMatrix in vitro pharmacology data |
Organic cation transporter 1/Solute carrier family 22 member 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2073670] [GtoPdb: 1019] [UniProtKB: Q63089] | ||||||||
ChEMBL | TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in OCT1-expressing HeLa cells | F | 5.08 | pIC50 | 8260 | nM | IC50 | Drug Metab Dispos (2000) 28: 329-334 [PMID:10681378] |
CYP5A1/Thromboxane-A synthase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1835] [GtoPdb: 1353] [UniProtKB: P24557] | ||||||||
ChEMBL | DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2) | B | 5.66 | pIC50 | 2182 | nM | IC50 | DrugMatrix in vitro pharmacology data |
V1A receptor/Vasopressin V1a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1889] [GtoPdb: 366] [UniProtKB: P37288] | ||||||||
ChEMBL | DRUGMATRIX: Vasopressin V1A radioligand binding (ligand: [125I] PhenylacetylTyr(Me)PheGlnAsnArgProArgTyr) | B | 5.15 | pKi | 7030 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Vasopressin V1A radioligand binding (ligand: [125I] PhenylacetylTyr(Me)PheGlnAsnArgProArgTyr) | B | 4.76 | pIC50 | 17522 | nM | IC50 | DrugMatrix in vitro pharmacology data |
ChEMBL data shown on this page come from version 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]