Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50008190'   

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 (RAT)	BDBM50008190 (4-(2-Adamantan-1-yl-ethylcarbamoyl)-4-(3-chloro-be...) Show SMILES OC(=O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NCCC12CC3CC(CC(C3)C1)C2 |TLB:28:27:30:23.22.24,28:23:30:27.29.26,24:25:29:23.22.28,THB:24:23:29:25.30.26| Show InChI InChI=1S/C24H31ClN2O4/c25-19-3-1-2-18(11-19)22(30)27-20(4-5-21(28)29)23(31)26-7-6-24-12-15-8-16(13-24)10-17(9-15)14-24/h1-3,11,15-17,20H,4-10,12-14H2,(H,26,31)(H,27,30)(H,28,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Rotta Research Laboratorium Curated by ChEMBL					Assay Description Inhibition of the specific binding of [125I](BH)-CCK-8 to Cholecystokinin type B receptor in rat brain cortex				J Med Chem 35: 28-38 (1992) BindingDB Entry DOI: 10.7270/Q2XS5W11
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50008190 (4-(2-Adamantan-1-yl-ethylcarbamoyl)-4-(3-chloro-be...) Show SMILES OC(=O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NCCC12CC3CC(CC(C3)C1)C2 |TLB:28:27:30:23.22.24,28:23:30:27.29.26,24:25:29:23.22.28,THB:24:23:29:25.30.26| Show InChI InChI=1S/C24H31ClN2O4/c25-19-3-1-2-18(11-19)22(30)27-20(4-5-21(28)29)23(31)26-7-6-24-12-15-8-16(13-24)10-17(9-15)14-24/h1-3,11,15-17,20H,4-10,12-14H2,(H,26,31)(H,27,30)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rotta Research Laboratorium Curated by ChEMBL					Assay Description Concentration required to inhibit by 50% the specific binding of [3H]pentagastrin to Cholecystokinin type B receptor in rabbit gastric gland				J Med Chem 35: 28-38 (1992) BindingDB Entry DOI: 10.7270/Q2XS5W11
					More data for this Ligand-Target Pair