Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50045799'   

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))	BDBM50045799 (CHEMBL318238 | [2-(1H-Indol-3-yl)-1-methyl-1-pheny...) Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)Nc1ccccc1 |wU:23.24,wD:21.23,19.27,17.19,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:18:16.23.24,(14.71,-10.97,;13.38,-11.76,;12.05,-12.53,;12.06,-14.08,;12.97,-15.31,;12.07,-16.57,;10.6,-16.11,;9.25,-16.88,;7.92,-16.11,;7.92,-14.56,;9.25,-13.79,;10.59,-14.56,;11.88,-11.35,;10.55,-10.58,;9.45,-11.67,;10.15,-9.08,;8.66,-8.69,;7.33,-7.89,;6.77,-6.49,;5.13,-6.63,;4.02,-7.68,;4.56,-9.08,;5.84,-9.74,;6.91,-8.7,;6.35,-7.4,;6.18,-8.99,;14.71,-12.51,;14.71,-14.05,;16.25,-12.51,;17.02,-11.18,;16.25,-9.85,;17.01,-8.52,;18.56,-8.52,;19.33,-9.85,;18.56,-11.18,)| Show InChI InChI=1S/C29H33N3O3/c1-29(27(33)31-23-7-3-2-4-8-23,16-22-17-30-25-10-6-5-9-24(22)25)32-28(34)35-26-20-12-18-11-19(14-20)15-21(26)13-18/h2-10,17-21,26,30H,11-16H2,1H3,(H,31,33)(H,32,34)/t18-,19+,20-,21+,26?,29?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	407	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