PD168,077 [Ligand Id: 975] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL45244 (PD-168077)
  • A2B receptor/Adenosine A2b receptor in Rat [ChEMBL: CHEMBL2592] [GtoPdb: 20] [UniProtKB: P29276]
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  • α2A-adrenoceptor/Alpha-2a adrenergic receptor in Rat [ChEMBL: CHEMBL327] [GtoPdb: 25] [UniProtKB: P22909]
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  • D3 receptor/Dopamine D3 receptor in Human [ChEMBL: CHEMBL234] [GtoPdb: 216] [UniProtKB: P35462]
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  • D4 receptor/Dopamine D4 receptor in Human [ChEMBL: CHEMBL219] [GtoPdb: 217] [UniProtKB: P21917]
  • D4 receptor in Rat [GtoPdb: 217] [UniProtKB: P30729]
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  • 5-HT1A receptor/Serotonin 1a (5-HT1a) receptor in Mouse [ChEMBL: CHEMBL3737] [GtoPdb: 1] [UniProtKB: Q64264]
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  • 5-HT2A receptor/Serotonin 2a (5-HT2a) receptor in Human [ChEMBL: CHEMBL224] [GtoPdb: 6] [UniProtKB: P28223]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
A2B receptor/Adenosine A2b receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2592] [GtoPdb: 20] [UniProtKB: P29276]
ChEMBL Binding affinity at Alpha-2 adrenergic receptor B 6.75 pKi 177 nM Ki J Med Chem (1997) 40: 1771-1772 [PMID:9191952]
α2A-adrenoceptor/Alpha-2a adrenergic receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL327] [GtoPdb: 25] [UniProtKB: P22909]
ChEMBL Binding affinity at alpha-1 adrenergic receptor B 6.77 pKi 168 nM Ki J Med Chem (1997) 40: 1771-1772 [PMID:9191952]
Dopamine D1 receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2967] [UniProtKB: Q95136]
ChEMBL Affinity for Dopamine receptor D1 using [3H]SCH-23390 was carried out on bovine retinal membrane preparations B 5 pKi >10000 nM Ki J Med Chem (2003) 46: 161-168 [PMID:12502370]
D2 receptor/Dopamine D2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL217] [GtoPdb: 215] [UniProtKB: P14416]
ChEMBL Binding affinity for human Dopamine receptor D2 expressed in CHO K1 transfected cells using [3H]spiperone as radioligand B 5.43 pKi 3740 nM Ki J Med Chem (1997) 40: 1771-1772 [PMID:9191952]
ChEMBL Binding affinity towards cloned human Dopamine receptor D2 B 5.43 pKi 3740 nM Ki Bioorg Med Chem Lett (2001) 11: 223-226 [PMID:11206464]
ChEMBL Binding affinity towards human dopamine receptor D2 was determined by using [3H]spiperone as radioligand B 5.55 pKi 2818.38 nM Ki Bioorg Med Chem Lett (2005) 15: 2149-2157 [PMID:15808487]
ChEMBL Displacement of [3H] Spiperone from human D2L receptor expressed in CHO cells by competitive radioligand binding assay B 5.64 pKi 2300 nM Ki J Med Chem (2019) 62: 9658-9679 [PMID:31613617]
ChEMBL Displacement of [3H] Spiperone from human D2S receptor expressed in CHO cells by competitive radioligand binding assay B 5.96 pKi 1100 nM Ki J Med Chem (2019) 62: 9658-9679 [PMID:31613617]
ChEMBL Antagonist activity at human recombinant D2 receptor expressed in HEK293 cells by FLIPR assay F 5 pIC50 >10000 nM IC50 J Med Chem (2006) 49: 5093-5109 [PMID:16913699]
ChEMBL Agonist activity at human recombinant D2 receptor expressed in HEK293 cells by FLIPR assay F 5 pEC50 >10000 nM EC50 J Med Chem (2006) 49: 5093-5109 [PMID:16913699]
Dopamine D2 receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3998] [UniProtKB: P20288]
ChEMBL Affinity for Dopamine receptor D2 using [3H]-YM-09151-2 was carried out on bovine striatal membrane preparations B 4.74 pKi 18300 nM Ki J Med Chem (2003) 46: 161-168 [PMID:12502370]
ChEMBL Affinity for Dopamine receptor D2 using [3H]YM-09151-2 was carried out on bovine retinal membrane preparations (low-affinity) B 5.2 pKi 6300 nM Ki J Med Chem (2003) 46: 161-168 [PMID:12502370]
ChEMBL Affinity for Dopamine receptor D2 using [3H]YM-09151-2 was carried out on bovine retinal membrane preparations (high-affinity) B 7.6 pKi 25 nM Ki J Med Chem (2003) 46: 161-168 [PMID:12502370]
D3 receptor/Dopamine D3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL234] [GtoPdb: 216] [UniProtKB: P35462]
ChEMBL Displacement of [3H] Spiperone from human D3 receptor expressed in CHO cells by competitive radioligand binding assay B 5.33 pKi 4700 nM Ki J Med Chem (2019) 62: 9658-9679 [PMID:31613617]
ChEMBL Binding affinity for human Dopamine receptor D3 expressed in CHO K1 transfected cells using [3H]spiperone as radioligand B 5.55 pKi 2810 nM Ki J Med Chem (1997) 40: 1771-1772 [PMID:9191952]
D4 receptor/Dopamine D4 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL219] [GtoPdb: 217] [UniProtKB: P21917]
ChEMBL Binding affinity towards human dopamine receptor D4 expressed in CHO cells was determined by using [3H]thymidine as radioligand B 7.77 pKi 16.98 nM Ki Bioorg Med Chem Lett (2005) 15: 2149-2157 [PMID:15808487]
ChEMBL Displacement of [3H]-spiperone from human D4 receptor assessed as inhibition constant B 7.8 pKi 16 nM Ki Eur J Med Chem (2021) 212: 113141-113141 [PMID:33422983]
ChEMBL Binding affinity towards cloned human Dopamine receptor D4 B 8.05 pKi 9 nM Ki Bioorg Med Chem Lett (2001) 11: 223-226 [PMID:11206464]
ChEMBL Binding affinity of compound towards human dopamine receptor D4 was determined B 8.06 pKi 8.71 nM Ki Bioorg Med Chem Lett (2005) 15: 2149-2157 [PMID:15808487]
ChEMBL Binding affinity for human Dopamine receptor D4 expressed in CHO K1 transfected cells using [3H]spiperone as radioligand B 8.06 pKi 8.7 nM Ki J Med Chem (1997) 40: 1771-1772 [PMID:9191952]
ChEMBL Displacement of [3H] Spiperone from human D4.4 receptor expressed in CHO cells by competitive radioligand binding assay B 8.64 pKi 2.3 nM Ki J Med Chem (2019) 62: 9658-9679 [PMID:31613617]
ChEMBL Agonist activation of human dopamine receptor stimulating mitogenesis in Dopamine receptor D4-transfected CHO pro-5 cells using [3H]thymidine as radioligand F 7.77 pEC50 17 nM EC50 J Med Chem (1997) 40: 1771-1772 [PMID:9191952]
ChEMBL Activity at human recombinant D4.4 receptor expressed in HEK293 cells by FLIPR assay F 8.08 pEC50 8.3 nM EC50 J Med Chem (2006) 49: 5093-5109 [PMID:16913699]
ChEMBL Agonist activity at human D4.4 receptor in HEK293 cells coexpressing G-alpha-qo5 by FLIPR F 8.08 pEC50 8.3 nM EC50 J Med Chem (2006) 49: 7450-7465 [PMID:17149874]
ChEMBL Agonist activity at human D4R expressed in HEK293 cells by calcium flux assay B 8.16 pEC50 6.9 nM EC50 Eur J Med Chem (2021) 212: 113141-113141 [PMID:33422983]
D4 receptor in Rat [GtoPdb: 217] [UniProtKB: P30729]
GtoPdb - - 8.8 pKi 1.58 nM Ki Mol Pharmacol (2004) 66: 1491-9 [PMID:15448188]
5-HT1A receptor/Serotonin 1a (5-HT1a) receptor in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3737] [GtoPdb: 1] [UniProtKB: Q64264]
ChEMBL Binding affinity at 5-hydroxytryptamine 1A receptor B 6.41 pKi 385 nM Ki J Med Chem (1997) 40: 1771-1772 [PMID:9191952]
5-HT2A receptor/Serotonin 2a (5-HT2a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL224] [GtoPdb: 6] [UniProtKB: P28223]
ChEMBL Binding affinity at 5-hydroxytryptamine 2A receptor B 5.4 pKi 4010 nM Ki J Med Chem (1997) 40: 1771-1772 [PMID:9191952]

ChEMBL data shown on this page come from version 34:

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]