CCK-8 [Ligand Id: 864] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1121 (Pancreozymin, Cholecystokinin, Cholecystokinin c-terminal octapeptide, SQ-19844, Sincalide, Kinevac)
  • CCK1 receptor/Cholecystokinin A receptor in Human [ChEMBL: CHEMBL1901] [GtoPdb: 76] [UniProtKB: P32238]
  • CCK1 receptor/Cholecystokinin A receptor in Rat [ChEMBL: CHEMBL2871] [GtoPdb: 76] [UniProtKB: P30551]
  • Cholecystokinin A receptor in Guinea pig [ChEMBL: CHEMBL3501] [UniProtKB: Q63931]
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  • CCK2 receptor/Cholecystokinin B receptor in Human [ChEMBL: CHEMBL298] [GtoPdb: 77] [UniProtKB: P32239]
  • CCK2 receptor/Cholecystokinin B receptor in Mouse [ChEMBL: CHEMBL2854] [GtoPdb: 77] [UniProtKB: P56481]
  • CCK2 receptor/Cholecystokinin B receptor in Rat [ChEMBL: CHEMBL3508] [GtoPdb: 77] [UniProtKB: P30553]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
CCK1 receptor/Cholecystokinin A receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1901] [GtoPdb: 76] [UniProtKB: P32238]
ChEMBL Displacement of radiolabeled CCK-8s from human CCK1 receptor B 9.55 pKi 0.28 nM Ki J. Med. Chem. (2008) 51: 7094-7098 [PMID:18983139]
ChEMBL Binding affinity against human Cholecystokinin type A receptor by displacement of [125I]CCK-8 B 8.88 pIC50 1.32 nM IC50 J. Med. Chem. (1996) 39: 2655-2658 [PMID:8709093]
ChEMBL In vitro for binding affinity against human cholecystokinin type A receptor. B 8.88 pIC50 1.32 nM IC50 J. Med. Chem. (1997) 40: 2706-2725 [PMID:9276016]
ChEMBL Binding affinity against human Cholecystokinin type A receptor in membrane preparation isolated from CHO-K1 cells stably transfected with cDNA of human CCK-A using [125I]-Bolton-Hunter CCK-8 as radioligand B 8.88 pIC50 1.32 nM IC50 J. Med. Chem. (1996) 39: 3030-3034 [PMID:8709137]
ChEMBL Tested for the 50% displacement of [125I]CCK-8 from membrane preparation isolated from CHO-K1 cells stably transfected with the cDNA of human Cholecystokinin type A receptor B 8.9 pIC50 1.26 nM IC50 Bioorg. Med. Chem. Lett. (1997) 7: 511-514
ChEMBL Concentration required to displace [125I]Bolton-Hunter CCK-8 from human Cholecystokinin type A receptor stably expressed in CHO-K1 cells B 9.2 pIC50 0.63 nM IC50 J. Med. Chem. (1996) 39: 562-569 [PMID:8558528]
ChEMBL Compound was tested in vitro for its ability to displace [125I]Bolton-Hunter CCK-8 from membrane preparation isolated from CHO-KI cells stably transfected with cDNA of human Cholecystokinin type A receptor B 9.2 pIC50 0.63 nM IC50 J. Med. Chem. (1996) 39: 5236-5245 [PMID:8978852]
ChEMBL Displacement of CCK-8 from CHO cell membranes expressing human Cholecystokinin type A receptor B 9.4 pIC50 0.4 nM IC50 J. Med. Chem. (1995) 38: 207-211 [PMID:7837233]
ChEMBL In vitro displacement of [125I]BH-CCK-8 from cDNA of human Cholecystokinin type A receptor expressed in CHO-K1 cells B 9.41 pIC50 0.39 nM IC50 J. Med. Chem. (1995) 38: 3384-3390 [PMID:7650691]
ChEMBL Displacement of radiolabeled CCK-8s from human CCK1 receptor B 9.43 pIC50 0.37 nM IC50 J. Med. Chem. (2008) 51: 7094-7098 [PMID:18983139]
ChEMBL Displacement of [125I]CCK-8s from human recombinant CCK-A receptor expressed in CHO cells B 9.89 pIC50 0.13 nM IC50 Bioorg. Med. Chem. (2016) 24: 1793-1810 [PMID:26988801]
ChEMBL Displacement of [125I]CCK-8s from human recombinant CCK1 receptor expressed in CHO cells measured after 60 mins by scintillation counting method B 9.89 pIC50 0.13 nM IC50 Bioorg Med Chem (2017) 25: 471-482 [PMID:27876250]
ChEMBL Antagonist activity at CCK1 receptor expressed in HEK 293 cells assessed as accumulation of [3H]inositol phosphates by PI assay F 7.55 pEC50 28.18 nM EC50 J. Med. Chem. (2006) 49: 2868-2875 [PMID:16686530]
ChEMBL Antagonist activity at CCK1 receptor expressed in HEK 293 cells assessed as accumulation of [3H]inositol phosphates by PI assay F 7.55 pEC50 28 nM EC50 J. Med. Chem. (2006) 49: 2868-2875 [PMID:16686530]
ChEMBL Compound was evaluated for the [Ca2+] mobilization innstably transfected CHO-K1 cell lines expressing human Cholecystokinin type A receptor B 10 pEC50 0.1 nM EC50 J. Med. Chem. (1995) 38: 3384-3390 [PMID:7650691]
CCK1 receptor/Cholecystokinin A receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2871] [GtoPdb: 76] [UniProtKB: P30551]
ChEMBL Evaluated for binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific binding to Cholecystokinin receptor in rat pancreas membranes at a KD concentration of 4.4 nM B 8.06 pKi 8.71 nM Ki J. Med. Chem. (1987) 30: 962-968 [PMID:2438407]
ChEMBL Inhibition of [3H]pCCK-8 specific binding to Cholecystokinin type A receptor of rat pancreas B 9.28 pKi 0.52 nM Ki J. Med. Chem. (1997) 40: 3402-3407 [PMID:9341915]
ChEMBL Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue B 10.05 pKi 0.09 nM Ki J. Med. Chem. (1997) 40: 4302-4307 [PMID:9435899]
ChEMBL Inhibition of [125I]BH-CCK-8 binding to Cholecystokinin type A receptor of rat pancreatic tissue B 10.05 pKi 0.09 nM Ki J. Med. Chem. (2000) 43: 2350-2355 [PMID:10882360]
GtoPdb - - 7.2 pIC50 - - - Proc. Natl. Acad. Sci. U.S.A. (1990) 87: 6728-32 [PMID:1975695]
ChEMBL Tested for the inhibition of specific [3H]propionyl-CCK-8 binding to rat pancreas membrane(CCK-A) B 8.97 pIC50 1.08 nM IC50 Bioorg. Med. Chem. Lett. (1997) 7: 855-860
ChEMBL Binding affinity by competitive inhibition of the radioligand [3H]pCCK-8 at Cholecystokinin type A receptor from rat pancreas B 8.98 pIC50 1.04 nM IC50 J. Med. Chem. (1999) 42: 4659-4668 [PMID:10579828]
ChEMBL Inhibition of [3H]pCCK-8 binding to cholecystokinin type A receptor of rat pancreas B 8.98 pIC50 1.04 nM IC50 J. Med. Chem. (2001) 44: 4196-4206 [PMID:11708921]
ChEMBL Inhibition of [3H]-pCCK-8 binding to Cholecystokinin type A receptor of rat pancreas homogenates B 8.98 pIC50 1.04 nM IC50 J. Med. Chem. (2004) 47: 5318-5329 [PMID:15456276]
ChEMBL Compound was evaluated for the binding affinity towards rat pancreatic Cholecystokinin type A receptor B 9 pIC50 1 nM IC50 Bioorg. Med. Chem. Lett. (2000) 10: 1245-1248 [PMID:10866391]
ChEMBL Displacement of 125I]-D-Tyr-Gly-[(Nle28,31)CCK-26-33] from rat cell membrane Cholecystokinin type A receptor B 9.1 pIC50 0.8 nM IC50 Bioorg. Med. Chem. Lett. (1998) 8: 3127-3132 [PMID:9873689]
ChEMBL Concentration required to inhibit by 50% specific binding of [125I](BH)-CCK-8 to cholecystokinin type A receptor in rat pancreatic acini B 9.3 pIC50 0.5 nM IC50 J. Med. Chem. (1992) 35: 28-38 [PMID:1732532]
GtoPdb - - 9.9 pIC50 - - - Proc. Natl. Acad. Sci. U.S.A. (1990) 87: 6728-32 [PMID:1975695]
ChEMBL Inhibition of [125I]- Bolton-Hunter CCK-26-33 binding to Cholecystokinin type A receptor of rat pancreas B 10 pIC50 0.1 nM IC50 Bioorg. Med. Chem. Lett. (1993) 3: 889-894
ChEMBL Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas cholecystokinin type A receptor B 10 pIC50 0.1 nM IC50 J. Med. Chem. (1991) 34: 404-414 [PMID:1671419]
ChEMBL Evaluated for inhibition of cholecystokinin type A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas B 10 pIC50 0.1 nM IC50 J. Med. Chem. (1992) 35: 2573-2581 [PMID:1635058]
ChEMBL Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas. B 10 pIC50 0.1 nM IC50 J. Med. Chem. (1993) 36: 552-565 [PMID:7684452]
Cholecystokinin A receptor in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3501] [UniProtKB: Q63931]
ChEMBL Displacement of [3H]-pCCK-8 from cholecystokinin-A receptor in guinea pig pancreatic membrane B 9.15 pKi 0.7 nM Ki J. Med. Chem. (1993) 36: 166-172 [PMID:8421283]
ChEMBL Compound was tested for binding affinity against CCK1 (cholecystokinin) receptor on guinea pig pancreatic membranes B 9.15 pKi 0.7 nM Ki J. Med. Chem. (2000) 43: 3614-3623 [PMID:11020275]
ChEMBL The compound was tested for the inhibition of [3H]propionyl specific binding to CCK-8 receptor of guinea pig pancreatic membrane B 9.19 pKi 0.64 nM Ki J. Med. Chem. (1989) 32: 445-449 [PMID:2464062]
ChEMBL Tested for the inhibition of [3H]pCCK-8 binding to Cholecystokinin type A receptor in pancreatic membranes of guinea-pig B 9.19 pKi 0.64 nM Ki Bioorg. Med. Chem. Lett. (1993) 3: 847-850
ChEMBL Displacement of 0.1 nM [3H]pCCK-8 from guinea pig pancreatic membranes B 9.19 pKi 0.64 nM Ki J. Med. Chem. (1989) 32: 1184-1190 [PMID:2724293]
ChEMBL Ability to displace 1 nM [3H]pCCK-8 from Cholecystokinin type A receptor in guinea pig pancreatic membranes B 9.22 pKi 0.6 nM Ki Bioorg. Med. Chem. Lett. (2004) 14: 369-372 [PMID:14698161]
ChEMBL Inhibition of [3H]pCCK-8 binding to Cholecystokinin type A receptor of Guinea pig pancreatic membranes B 9.55 pKi 0.28 nM Ki J. Med. Chem. (1997) 40: 647-658 [PMID:9057851]
ChEMBL The compound was tested for the inhibition of [3H]propionyl specific binding to CCK-8 receptor of guinea pig brain B 9.55 pKi 0.28 nM Ki J. Med. Chem. (1989) 32: 445-449 [PMID:2464062]
ChEMBL Displacement of [125I]BH-CCK-8 from Cholecystokinin type A receptor in guinea pig pancreas B 9.4 pIC50 0.4 nM IC50 J. Med. Chem. (1990) 33: 2950-2952 [PMID:1700123]
ChEMBL Displacement of [125I]Bolton-Hunter-CCK-8 from guinea pig pancreas Cholecystokinin type A receptor B 9.55 pIC50 0.28 nM IC50 Bioorg. Med. Chem. Lett. (1993) 3: 855-860
CCK2 receptor/Cholecystokinin B receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL298] [GtoPdb: 77] [UniProtKB: P32239]
ChEMBL The compound was evaluated for the inhibition of binding of [3H]-PD 140376 to Cholecystokinin type B receptor in guinea pig cortex. B 9.19 pKi 0.65 nM Ki Bioorg. Med. Chem. Lett. (1993) 3: 885-888
ChEMBL Inhibition of [3H]pCCK-8 binding to Guinea pig cortex membrane Cholecystokinin type B receptor B 9.19 pKi 0.64 nM Ki J. Med. Chem. (1997) 40: 647-658 [PMID:9057851]
ChEMBL Displacement of radiolabeled CCK-8s from human CCK2 receptor B 9.43 pKi 0.37 nM Ki J. Med. Chem. (2008) 51: 7094-7098 [PMID:18983139]
ChEMBL Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane B 9.52 pKi 0.3 nM Ki J. Med. Chem. (1993) 36: 166-172 [PMID:8421283]
ChEMBL Binding affinity against cholecystokinin type B receptor on guinea pig cortex. B 9.52 pKi 0.3 nM Ki J. Med. Chem. (2000) 43: 3614-3623 [PMID:11020275]
ChEMBL Inhibitory activity against Cholecystokinin type B receptor B 9.52 pKi 0.3 nM Ki Bioorg. Med. Chem. Lett. (1993) 3: 799-802
ChEMBL Tested for the inhibition of [3H]pCCK-8 binding to Cholecystokinin type B receptor in guinea pig brain B 9.55 pKi 0.28 nM Ki Bioorg. Med. Chem. Lett. (1993) 3: 847-850
ChEMBL Displacement of 0.2 nM [3H]pCCK-8 from guinea pig brain membranes B 9.55 pKi 0.28 nM Ki J. Med. Chem. (1989) 32: 1184-1190 [PMID:2724293]
ChEMBL Displacement of [125I]BH-CCK-8 from Cholecystokinin type B receptor of guinea pig cortex B 8.09 pIC50 8.2 nM IC50 J. Med. Chem. (1990) 33: 2950-2952 [PMID:1700123]
ChEMBL Displacement of [125I]Bolton-Hunter-CCK-8 from guinea pig cortex Cholecystokinin type B receptor B 8.8 pIC50 1.6 nM IC50 Bioorg. Med. Chem. Lett. (1993) 3: 855-860
ChEMBL Displacement of radiolabeled CCK-8s from human CCK2 receptor B 9.04 pIC50 0.92 nM IC50 J. Med. Chem. (2008) 51: 7094-7098 [PMID:18983139]
ChEMBL In vitro for binding affinity against human cholecystokinin type B receptor. B 9.46 pIC50 0.35 nM IC50 J. Med. Chem. (1997) 40: 2706-2725 [PMID:9276016]
ChEMBL Binding affinity against human Cholecystokinin type B receptor in CHO-K1 cells using [125I]-Bolton-Hunter CCK-8 as radioligand B 9.46 pIC50 0.35 nM IC50 J. Med. Chem. (1996) 39: 3030-3034 [PMID:8709137]
ChEMBL Concentration required to displace [125I]Bolton-Hunter CCK-8 from human Cholecystokinin type B receptor stably expressed in CHO-K1 cells B 9.5 pIC50 0.32 nM IC50 J. Med. Chem. (1996) 39: 562-569 [PMID:8558528]
ChEMBL Displacement of CCK-8 from human Cholecystokinin type B receptor expressing CHO cell membranes B 9.5 pIC50 0.32 nM IC50 J. Med. Chem. (1995) 38: 207-211 [PMID:7837233]
ChEMBL In vitro displacement of [125I]BH-CCK-8 from cDNA of human Cholecystokinin type B receptor expressed in CHO-K1 cells B 9.5 pIC50 0.32 nM IC50 J. Med. Chem. (1995) 38: 3384-3390 [PMID:7650691]
ChEMBL Compound was tested in vitro for its ability to displace [125I]Bolton-Hunter CCK-8 from membrane preparation isolated from CHO-KI cells stably transfected with cDNA of human Cholecystokinin type B receptor B 9.5 pIC50 0.32 nM IC50 J. Med. Chem. (1996) 39: 5236-5245 [PMID:8978852]
ChEMBL Tested for 50% displacement of [125I]CCK-8 from membrane preparation isolated from CHO-K1 cells stably transfected with the cDNA of human Cholecystokinin type B receptor B 9.5 pIC50 0.32 nM IC50 Bioorg. Med. Chem. Lett. (1997) 7: 511-514
ChEMBL Binding affinity against human Cholecystokinin type B receptor by displacement of [125I]CCK-8 B 9.64 pIC50 0.23 nM IC50 J. Med. Chem. (1996) 39: 2655-2658 [PMID:8709093]
ChEMBL Displacement of [125I]CCK-8s from human recombinant CCK2 receptor expressed in CHO cells measured after 60 mins by scintillation counting method B 9.92 pIC50 0.12 nM IC50 Bioorg Med Chem (2017) 25: 471-482 [PMID:27876250]
ChEMBL Displacement of [125I]CCK-8s from human recombinant CCK-B receptor expressed in CHO cells B 9.92 pIC50 0.12 nM IC50 Bioorg. Med. Chem. (2016) 24: 1793-1810 [PMID:26988801]
GtoPdb - - 10 pIC50 - - - J. Biol. Chem. (1993) 268: 8164-9 [PMID:7681836];
J. Biol. Chem. (1993) 268: 18300-5 [PMID:8349705]
ChEMBL Antagonist activity at CCK2 receptor expressed in HEK293 cells assessed as accumulation of [3H]inositol phosphates by PI assay F 7.57 pEC50 27 nM EC50 J. Med. Chem. (2006) 49: 2868-2875 [PMID:16686530]
ChEMBL Antagonist activity at CCK2 receptor expressed in HEK293 cells assessed as accumulation of [3H]inositol phosphates by PI assay F 7.57 pEC50 26.92 nM EC50 J. Med. Chem. (2006) 49: 2868-2875 [PMID:16686530]
ChEMBL Displacement of [125I]CCK-8 from CCK2 receptor in human FGS7 Jurkat cells B 10.03 pEC50 0.09 nM EC50 J. Nat. Prod. (2006) 69: 432-435 [PMID:16562853]
ChEMBL Compound was evaluated for the [Ca2+] mobilization innstably transfected CHO-K1 cell lines expressing human Cholecystokinin type B receptor B 10.3 pEC50 0.05 nM EC50 J. Med. Chem. (1995) 38: 3384-3390 [PMID:7650691]
CCK2 receptor/Cholecystokinin B receptor in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2854] [GtoPdb: 77] [UniProtKB: P56481]
ChEMBL In vitro binding affinity against Cholecystokinin type B receptor in mouse cerebral cortical membranes using [125I]Tyr(SO3H)27]-CCK-8 binding assay B 8.89 pIC50 1.3 nM IC50 Bioorg. Med. Chem. Lett. (2001) 11: 705-709 [PMID:11266174]
ChEMBL Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the mouse cerebral cortex B 9.52 pIC50 0.3 nM IC50 J. Med. Chem. (1992) 35: 2573-2581 [PMID:1635058]
ChEMBL Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex B 9.52 pIC50 0.3 nM IC50 J. Med. Chem. (1993) 36: 552-565 [PMID:7684452]
ChEMBL Binding affinity towards Cholecystokinin type B receptor in mouse cortex membrane B 9.52 pIC50 0.3 nM IC50 Bioorg. Med. Chem. Lett. (2000) 10: 1245-1248 [PMID:10866391]
ChEMBL Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex cholecystokinin type B receptor B 9.52 pIC50 0.3 nM IC50 J. Med. Chem. (1991) 34: 404-414 [PMID:1671419]
ChEMBL Inhibition of [125I]- Bolton-Hunter CCK-26-33 binding to Cholecystokinin type B receptor of mouse cerebral cortex B 9.52 pIC50 0.3 nM IC50 Bioorg. Med. Chem. Lett. (1993) 3: 889-894
CCK2 receptor/Cholecystokinin B receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3508] [GtoPdb: 77] [UniProtKB: P30553]
ChEMBL Inhibition of [3H]- pCCK-8 binding to Cholecystokinin type B receptor of rat cerebral cortex membranes B 8.55 pKi 2.8 nM Ki J. Med. Chem. (1997) 40: 3402-3407 [PMID:9341915]
ChEMBL Ability to displace 1 nM [3H]pCCK-8 from rat Cholecystokinin type B receptor stably expressing in CHO cells B 9.15 pKi 0.7 nM Ki Bioorg. Med. Chem. Lett. (2004) 14: 369-372 [PMID:14698161]
ChEMBL Affinity to inhibit [3H]pCCK-8 specific binding on rat brain Cholecystokinin type B receptor expressed in CHO cells B 9.22 pKi 0.6 nM Ki J. Med. Chem. (1997) 40: 647-658 [PMID:9057851]
ChEMBL Compound was tested for binding affinity against Cholecystokinin type B receptor expressed in CHO cells on the rat brain. B 9.22 pKi 0.6 nM Ki J. Med. Chem. (2000) 43: 3614-3623 [PMID:11020275]
ChEMBL Binding affinity for Cholecystokinin type B receptor using [125I]-BH-CCK-8 in rat cortex synaptosomes B 9.39 pKi 0.41 nM Ki J. Med. Chem. (1997) 40: 4302-4307 [PMID:9435899]
ChEMBL Binding affinity towards Cholecystokinin type B receptor in rat cortex synaptosomes using [125I]BH-CCK-8 as radioligand B 9.39 pKi 0.41 nM Ki J. Med. Chem. (2000) 43: 2350-2355 [PMID:10882360]
ChEMBL Tested for the inhibition of specific [3H]propionyl-CCK-8 binding to rat cerebral cortex membrane(CCK-B) B 8.22 pIC50 6 nM IC50 Bioorg. Med. Chem. Lett. (1997) 7: 855-860
ChEMBL Binding affinity by competitive inhibition of the radioligand [3H]pCCK-8 at Cholecystokinin type B receptor from rat cerebral cortex membrane B 8.25 pIC50 5.6 nM IC50 J. Med. Chem. (1999) 42: 4659-4668 [PMID:10579828]
ChEMBL Inhibition of [3H]pCCK-8 binding to cholecystokinin type B receptor of rat cerebral cortex B 8.25 pIC50 5.6 nM IC50 J. Med. Chem. (2001) 44: 4196-4206 [PMID:11708921]
ChEMBL Inhibition of [3H]-pCCK-8 binding to Cholecystokinin type B receptor of rat cerebral cortex homogenates B 8.25 pIC50 5.6 nM IC50 J. Med. Chem. (2004) 47: 5318-5329 [PMID:15456276]
ChEMBL Inhibition of the specific binding of [125I](BH)-CCK-8 to Cholecystokinin type B receptor in rat brain cortex B 9 pIC50 1 nM IC50 J. Med. Chem. (1992) 35: 28-38 [PMID:1732532]
ChEMBL Effective concentration for the stimulation of Inositol Phosphate accumulation in CHO cells expressing wild-type Cholecystokinin type B receptor F 9.2 pEC50 0.63 nM EC50 J. Med. Chem. (1997) 40: 647-658 [PMID:9057851]
ChEMBL Affinity against Cholecystokinin type B receptor expressed in CHO cells on rat brain. F 9.2 pEC50 0.63 nM EC50 J. Med. Chem. (2000) 43: 3614-3623 [PMID:11020275]

ChEMBL data shown on this page come from version 27:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]