icatibant [Ligand Id: 667] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL2028850 (Icatibant, Icatibanto) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| B2 receptor/B2 bradykinin receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3157] [GtoPdb: 42] [UniProtKB: P30411] | ||||||||
| ChEMBL | Antagonist effect against bradykinin B2 receptor was determined in rabbit jugular vein | F | 9.04 | pKd | 0.91 | nM | Kd | Bioorg Med Chem Lett (1994) 4: 781-784 |
| ChEMBL | Antagonist activity against bradykinin B2 receptor | F | 9.55 | pKd | 0.28 | nM | Kd | Bioorg Med Chem Lett (2006) 16: 2387-2390 [PMID:16504505] |
| ChEMBL | Binding affinity to B2 bradykinin receptor (unknown origin) | B | 9.1 | pKi | 0.79 | nM | Ki | J Med Chem (2016) 59: 10865-10890 [PMID:27690430] |
| ChEMBL | Binding affinity towards Bradykinin receptor B2 in human S34 clone cells | B | 9.74 | pKi | 0.18 | nM | Ki | J Med Chem (1996) 39: 1472-1484 [PMID:8691478] |
| GtoPdb | - | - | 10.19 | pKi | 0.06 | nM | Ki | J Med Chem (1999) 42: 4185-92 [PMID:10514288] |
| ChEMBL | Binding affinity against human cloned Bradykinin receptor B2 expressed in CHO cells using [3H]-bradykinin as radioligand | B | 10.19 | pKi | 0.06 | nM | Ki | J Med Chem (1999) 42: 4185-4192 [PMID:10514288] |
| ChEMBL | Binding affinity towards human cloned Bradykinin receptor B2 expressed in CHO cells by [3H]bradykinin displacement. | B | 10.22 | pKi | 0.06 | nM | Ki | J Med Chem (1999) 42: 4193-4201 [PMID:10514289] |
| ChEMBL | Binding affinity to human bradykinin B2 receptor transfected in CHO cells | B | 10.6 | pKi | 0.03 | nM | Ki | Bioorg Med Chem Lett (2006) 16: 2387-2390 [PMID:16504505] |
| ChEMBL | Concentration required to inhibit specific binding of [3H]BK (1.2 nM) to A-431 cells (human epidermoid carcinoma) which express Bradykinin receptor B2 by 50%. | B | 8.48 | pIC50 | 3.3 | nM | IC50 | J Med Chem (1998) 41: 4062-4079 [PMID:9767643] |
| ChEMBL | Concentration required to inhibit specific binding of [3H]BK at 1.2 nM to A-431 cells (human epidermoid carcinoma) which express Bradykinin receptor B2 by 50%. | B | 8.48 | pIC50 | 3.3 | nM | IC50 | J Med Chem (1998) 41: 4053-4061 [PMID:9767642] |
| ChEMBL | Inhibition of B2R (unknown origin) | B | 8.97 | pIC50 | 1.07 | nM | IC50 | Eur J Med Chem (2022) 243: 114742-114742 [PMID:36155354] |
| ChEMBL | Inhibition specific binding of [3H]BK (1.0 nM) to human Bradykinin receptor B2 which was expressed in CHO (Chinese hamster ovary) cells by 50%. | B | 9.31 | pIC50 | 0.49 | nM | IC50 | J Med Chem (1998) 41: 4062-4079 [PMID:9767643] |
| ChEMBL | In vitro inhibitory activity towards human bradykinin receptor B2 expressed in CHO cells using [3H]BK (1.0 nM) as a radioligand | B | 9.31 | pIC50 | 0.49 | nM | IC50 | J Med Chem (2004) 47: 1617-1630 [PMID:15027853] |
| GtoPdb | - | - | 9.4 | pIC50 | - | - | - |
Mol Pharmacol (1994) 45: 1-8 [PMID:8302267]; Mol Pharmacol (1997) 51: 171-6 [PMID:9203620] |
| GtoPdb | - | - | 8.4 | pA2 | - | - | - | Br J Pharmacol (1996) 118: 289-94 [PMID:8735629] |
| B2 receptor in Mouse [GtoPdb: 42] [UniProtKB: P32299] | ||||||||
| GtoPdb | - | - | 9.6 | pKi | - | - | - | Mol Pharmacol (1994) 45: 1-8 [PMID:8302267] |
| B2 receptor/B2 bradykinin receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2501] [GtoPdb: 42] [UniProtKB: P25023] | ||||||||
| ChEMBL | In vitro Bradykinin receptor B2 antagonist activity by using rat uterus functional assay | F | 9.5 | pKd | 0.32 | nM | Kd | J Med Chem (1996) 39: 1472-1484 [PMID:8691478] |
| ChEMBL | Binding affinity against rat bradykinin B2 receptors expressed in CHO cells using [3H]bradykinin as radioligand | B | 10.11 | pKi | 0.08 | nM | Ki | J Med Chem (1999) 42: 4185-4192 [PMID:10514288] |
| GtoPdb | - | - | 10.3 | pKi | - | - | - | Br J Pharmacol (2000) 129: 77-86 [PMID:10694205] |
| B2 bradykinin receptor in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4111] [UniProtKB: O70526] | ||||||||
| ChEMBL | In vitro binding affinity against bradykinin receptor B2 from guinea pig ileum. | B | 9.96 | pKi | 0.11 | nM | Ki | J Med Chem (1993) 36: 1450-1460 [PMID:8388469] |
| ChEMBL | In vitro antagonistic activity for Bradykinin receptor B2 by guinea pig pulmonary artery assay. | F | 8.27 | pIC50 | 5.4 | nM | IC50 | J Med Chem (1995) 38: 2799-2801 [PMID:7636840] |
| ChEMBL | In vitro antagonistic activity for Bradykinin receptor B2 by guinea pig ileal membrane receptor assay. | F | 8.97 | pIC50 | 1.07 | nM | IC50 | J Med Chem (1995) 38: 2799-2801 [PMID:7636840] |
| ChEMBL | Concentration required to inhibit specific binding of [ 3H]BK (0.06 nM) to Bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%. | B | 10.05 | pIC50 | 0.09 | nM | IC50 | J Med Chem (1998) 41: 4062-4079 [PMID:9767643] |
| ChEMBL | Concentration required to inhibit specific binding of [3H]BK at 0.06 nM to Bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%. | B | 10.05 | pIC50 | 0.09 | nM | IC50 | J Med Chem (1998) 41: 4053-4061 [PMID:9767642] |
| ChEMBL | In vitro inhibitory activity towards bradykinin receptor B2 using [3H]BK (0.06 nM) as a radioligand in guinea pig ileum membrane preparation | B | 10.05 | pIC50 | 0.09 | nM | IC50 | J Med Chem (2004) 47: 1617-1630 [PMID:15027853] |
| MRGPRX2/Mas-related G-protein coupled receptor member X2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5849] [GtoPdb: 157] [UniProtKB: Q96LB1] | ||||||||
| ChEMBL | Agonist activity at MRGPRX2 (unknown origin) expressed in HTLA cells assessed as induction of beta-arrestin 2 recruitment incubated for 18 to 24 hrs by PRESTO-Tango assay | F | 4.5 | pEC50 | >31622.78 | nM | EC50 | Nat Chem Biol (2017) 13: 529-536 [PMID:28288109] |
| ChEMBL | Agonist activity at N-terminal Flag-tagged human MRGPRX2 receptor expressed in tetracycline-induced FLP-IN/T-REX 293 cells assessed as increase in intracellular calcium release by FLIPR assay | F | 4.55 | pEC50 | 28183.83 | nM | EC50 | Nat Chem Biol (2017) 13: 529-536 [PMID:28288109] |
| B1 receptor in Human [GtoPdb: 41] [UniProtKB: P46663] | ||||||||
| GtoPdb | - | - | 7 | pKi | - | - | - |
Eur J Pharmacol (1999) 374: 423-433 [PMID:10422787]; Br J Pharmacol (1997) 122: 393-9 [PMID:9313952] |
| B1 receptor in Rat [GtoPdb: 41] [UniProtKB: P97583] | ||||||||
| GtoPdb | - | - | 6.4 | pKi | - | - | - | Eur J Pharmacol (1999) 374: 423-433 [PMID:10422787] |
ChEMBL data shown on this page come from version 36:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
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]
