Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50472851'   

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))	BDBM50472851 (CHEMBL331763) Show SMILES [H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4cccc(NC(O)C(C)O)c4)C1=O)(C2)C3 |TLB:5:3:47:6.9.8,8:1:48:6.9.5,8:6:48:1.47.2,THB:5:6:47:3.48.2| Show InChI InChI=1S/C36H41N5O5/c1-22(42)32(43)37-26-8-7-9-27(17-26)38-35(46)39-31-33(44)40(21-36-18-23-14-24(19-36)16-25(15-23)20-36)29-12-5-6-13-30(29)41(34(31)45)28-10-3-2-4-11-28/h2-13,17,22-25,31-32,37,42-43H,14-16,18-21H2,1H3,(H2,38,39,46)/t22?,23-,24+,25-,31?,32?,36?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.676	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type B receptor of guinea pig cerebral cortex membranes				J Med Chem 43: 3596-613 (2000) Article DOI: 10.1021/jm990967h BindingDB Entry DOI: 10.7270/Q26H4M5V
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50472851 (CHEMBL331763) Show SMILES [H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4cccc(NC(O)C(C)O)c4)C1=O)(C2)C3 |TLB:5:3:47:6.9.8,8:1:48:6.9.5,8:6:48:1.47.2,THB:5:6:47:3.48.2| Show InChI InChI=1S/C36H41N5O5/c1-22(42)32(43)37-26-8-7-9-27(17-26)38-35(46)39-31-33(44)40(21-36-18-23-14-24(19-36)16-25(15-23)20-36)29-12-5-6-13-30(29)41(34(31)45)28-10-3-2-4-11-28/h2-13,17,22-25,31-32,37,42-43H,14-16,18-21H2,1H3,(H2,38,39,46)/t22?,23-,24+,25-,31?,32?,36?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type B receptor of guinea pig cerebral cortex membranes				J Med Chem 43: 3596-613 (2000) Article DOI: 10.1021/jm990967h BindingDB Entry DOI: 10.7270/Q26H4M5V
					More data for this Ligand-Target Pair