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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50045803'   
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
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50045803
PNG
(CHEMBL433407 | [1-[2-(4-Chloro-phenyl)-ethylcarbam...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccc(Cl)cc1 |wU:21.23,19.27,17.19,wD:23.26,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:16.23.24:18,(14.26,-12.21,;12.93,-13,;11.6,-13.77,;11.6,-15.31,;12.51,-16.55,;11.62,-17.81,;10.15,-17.34,;8.8,-18.11,;7.47,-17.34,;7.47,-15.8,;8.8,-15.03,;10.13,-15.8,;11.43,-12.58,;10.09,-11.81,;8.99,-12.9,;9.69,-10.32,;8.21,-9.92,;6.46,-9.94,;5.4,-10.97,;4.11,-10.32,;3.57,-8.92,;4.67,-7.87,;6.31,-7.71,;6.88,-9.13,;5.72,-10.23,;5.9,-8.64,;14.26,-13.75,;14.26,-15.29,;15.8,-13.75,;16.57,-12.42,;18.11,-12.42,;18.88,-11.08,;18.09,-9.76,;18.86,-8.43,;20.4,-8.41,;21.17,-7.08,;21.19,-9.76,;20.42,-11.09,)|
Show InChI InChI=1S/C31H36ClN3O3/c1-31(17-24-18-34-27-5-3-2-4-26(24)27,29(36)33-11-10-19-6-8-25(32)9-7-19)35-30(37)38-28-22-13-20-12-21(15-22)16-23(28)14-20/h2-9,18,20-23,28,34H,10-17H2,1H3,(H,33,36)(H,35,37)/t20-,21+,22-,23+,28?,31?
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PubMed
 39n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type B receptor in guinea pig brain cortex

J Med Chem 36: 2868-77 (1993)


BindingDB Entry DOI: 10.7270/Q2MG7NK5
More data for this
Ligand-Target Pair