Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50045821'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50045821 (CHEMBL320823 | {[2-(Adamantan-2-yloxycarbonylamino...) Show SMILES CCOC(=O)CN(CCc1ccccc1)C(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:40.42,wD:38.41,36.45,34.47,TLB:32:33:35:38.42.37,THB:41:36:33.40.39:42,39:40:35:38.42.37,39:38:33.40.41:35,(19.72,-14.24,;18.95,-12.91,;17.41,-12.91,;16.64,-11.58,;17.41,-10.24,;15.1,-11.58,;14.33,-10.25,;15.1,-8.91,;16.64,-8.91,;17.41,-7.57,;18.93,-7.58,;19.72,-6.25,;18.93,-4.91,;17.39,-4.92,;16.62,-6.25,;12.79,-10.25,;12.79,-11.79,;11.46,-9.48,;12.79,-8.71,;10.13,-10.27,;10.13,-11.81,;11.04,-13.04,;10.15,-14.3,;8.68,-13.84,;7.33,-14.61,;6,-13.84,;6,-12.3,;7.33,-11.51,;8.66,-12.28,;9.95,-9.08,;8.62,-8.31,;7.52,-9.39,;8.22,-6.82,;6.73,-6.42,;5.4,-5.62,;4.84,-4.21,;3.2,-4.36,;2.08,-5.41,;2.64,-6.82,;3.92,-7.47,;4.99,-6.42,;4.42,-5.13,;4.25,-6.73,)| Show InChI InChI=1S/C35H43N3O5/c1-3-42-31(39)22-38(14-13-23-9-5-4-6-10-23)33(40)35(2,20-28-21-36-30-12-8-7-11-29(28)30)37-34(41)43-32-26-16-24-15-25(18-26)19-27(32)17-24/h4-12,21,24-27,32,36H,3,13-20,22H2,1-2H3,(H,37,41)/t24-,25+,26-,27+,32?,35?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	543	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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