Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50045814'   

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))	BDBM50045814 (CHEMBL95793 | [2-(1H-Indol-3-yl)-1-methyl-1-(3-phe...) Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCCc1ccccc1 |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,(10.65,-12.14,;9.32,-12.93,;7.99,-13.7,;8,-15.24,;8.91,-16.48,;8.01,-17.74,;6.54,-17.27,;5.19,-18.04,;3.86,-17.27,;3.86,-15.73,;5.19,-14.96,;6.53,-15.73,;7.82,-12.51,;6.49,-11.74,;5.39,-12.83,;6.09,-10.25,;4.6,-9.85,;2.85,-9.87,;1.78,-10.9,;.51,-10.25,;-.04,-8.85,;1.07,-7.8,;2.71,-7.65,;3.27,-9.06,;2.12,-10.16,;2.29,-8.57,;10.65,-13.68,;10.65,-15.22,;12.19,-13.68,;12.96,-12.35,;14.5,-12.35,;15.27,-11.01,;16.81,-11.01,;17.55,-9.68,;19.09,-9.67,;19.86,-11.01,;19.11,-12.35,;17.57,-12.35,)| Show InChI InChI=1S/C32H39N3O3/c1-32(19-26-20-34-28-12-6-5-11-27(26)28,30(36)33-13-7-10-21-8-3-2-4-9-21)35-31(37)38-29-24-15-22-14-23(17-24)18-25(29)16-22/h2-6,8-9,11-12,20,22-25,29,34H,7,10,13-19H2,1H3,(H,33,36)(H,35,37)/t22-,23+,24-,25+,29?,32?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	182	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