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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 = 'BDBM50045815'   
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)		BDBM50045815
PNG
(CHEMBL98516 | {[2-(Adamantan-2-yloxycarbonylamino)...)
Show SMILES CC(Cc1cccc2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(O)=O |wU:22.24,20.28,18.20,wD:24.27,TLB:16:17:19:22.26.21,THB:23:24:19:22.26.21,23:22:19:17.24.25,(13.85,-9.4,;12.53,-10.18,;11.2,-10.95,;11.21,-12.51,;12.54,-13.27,;12.56,-14.8,;11.22,-15.58,;9.87,-14.82,;8.57,-15.6,;7.23,-14.85,;7.21,-13.3,;8.54,-12.53,;9.87,-13.29,;11.02,-9.78,;9.69,-9.01,;8.59,-10.09,;9.29,-7.51,;7.79,-7.12,;6.06,-7.12,;4.98,-8.16,;3.7,-7.51,;3.14,-6.1,;4.26,-5.05,;5.9,-4.89,;6.46,-6.31,;5.32,-7.42,;5.48,-5.82,;13.87,-10.95,;13.85,-12.49,;15.41,-10.94,;16.18,-9.61,;17.72,-9.61,;18.49,-8.26,;17.71,-6.94,;18.48,-5.61,;20.02,-5.6,;20.81,-6.94,;20.02,-8.28,;16.19,-12.28,;17.73,-12.28,;18.5,-13.62,;18.49,-10.94,)|
Show InChI InChI=1S/C35H40N2O5/c1-35(21-27-12-7-11-26-10-5-6-13-30(26)27,33(40)37(22-31(38)39)15-14-23-8-3-2-4-9-23)36-34(41)42-32-28-17-24-16-25(19-28)20-29(32)18-24/h2-13,24-25,28-29,32H,14-22H2,1H3,(H,36,41)(H,38,39)/t24-,25+,28-,29+,32?,35?
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PubMed
 2.01E+3n/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 A receptor in guinea pig pancreatic membranes

J Med Chem 36: 2868-77 (1993)


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