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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 = 'BDBM50471072'   
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


(Cavia porcellus)		BDBM50471072
PNG
(CHEMBL53237)
Show SMILES O=C(Nc1cc(cc(c1)-c1nn[nH]n1)-c1nn[nH]n1)[C@H](Cc1ccccc1)NC(=O)c1cc2[nH]cnc2cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:46:47:51:45.44.50,50:49:52:45.44.46,50:45:52:49.51.48,THB:46:45:51:47.52.48|
Show InChI InChI=1S/C37H37N13O3/c51-34(38-18-37-15-21-6-22(16-37)8-23(7-21)17-37)27-13-29-30(40-19-39-29)14-28(27)35(52)42-31(9-20-4-2-1-3-5-20)36(53)41-26-11-24(32-43-47-48-44-32)10-25(12-26)33-45-49-50-46-33/h1-5,10-14,19,21-23,31H,6-9,15-18H2,(H,38,51)(H,39,40)(H,41,53)(H,42,52)(H,43,44,47,48)(H,45,46,49,50)/t21?,22?,23?,31-,37?/m0/s1
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Article
PubMed
 891n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cholecystokinin type A receptor using [125I]BH-CCK-8S as radioligand in guinea pig pancreatic cells

J Med Chem 39: 1806-15 (1996)


Article DOI: 10.1021/jm9508907
BindingDB Entry DOI: 10.7270/Q2571FR6
More data for this
Ligand-Target Pair