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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 = 'BDBM50454209'   
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


(Homo sapiens (Human))		BDBM50454209
PNG
(CHEMBL430451)
Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(C)(Cc2n[nH]c3ccccc23)C1=O)c1ccccc1
Show InChI InChI=1S/C35H33N5O3/c1-24(2)39(25-14-6-4-7-15-25)32(41)23-38-30-20-12-13-21-31(30)40(26-16-8-5-9-17-26)34(43)35(3,33(38)42)22-29-27-18-10-11-19-28(27)36-37-29/h4-21,24H,22-23H2,1-3H3,(H,36,37)
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Similars
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against human Cholecystokinin type A receptor by displacement of [125I]CCK-8

J Med Chem 39: 2655-8 (1996)


Article DOI: 10.1021/jm960249k
BindingDB Entry DOI: 10.7270/Q2JQ126Q
More data for this
Ligand-Target Pair