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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor type A' and Ligand = 'BDBM50035820'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cholecystokinin receptor type A


(RAT)		BDBM50035820
PNG
(Ac-Trp-L-3-MPt(Pr)-Asp-Phe-NH2 | CHEMBL37830)
Show SMILES CCCS[C@@H]1CCN([C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O
Show InChI InChI=1S/C34H42N6O7S/c1-3-15-48-28-13-14-40(34(47)27(37-20(2)41)17-22-19-36-24-12-8-7-11-23(22)24)30(28)33(46)39-26(18-29(42)43)32(45)38-25(31(35)44)16-21-9-5-4-6-10-21/h4-12,19,25-28,30,36H,3,13-18H2,1-2H3,(H2,35,44)(H,37,41)(H,38,45)(H,39,46)(H,42,43)/t25-,26-,27-,28+,30+/m0/s1
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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type A receptor by displacement of [125I]-BH-CCK-8 from rat pancreatic acini

J Med Chem 38: 137-49 (1995)


BindingDB Entry DOI: 10.7270/Q2QN65TS
More data for this
Ligand-Target Pair