Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50471064'   

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 (MOUSE)	BDBM50471064 (CHEMBL301810) Show SMILES OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3ccccc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |TLB:41:40:43:36.35.37,41:36:43:40.42.39,THB:39:38:35:40.42.41,39:40:35:38.43.37| Show InChI InChI=1S/C40H39N3O7/c44-35(41-22-40-19-24-10-25(20-40)12-26(11-24)21-40)32-17-27-8-4-5-9-28(27)18-33(32)36(45)43-34(13-23-6-2-1-3-7-23)37(46)42-31-15-29(38(47)48)14-30(16-31)39(49)50/h1-9,14-18,24-26,34H,10-13,19-22H2,(H,41,44)(H,42,46)(H,43,45)(H,47,48)(H,49,50)/t24?,25?,26?,34-,40?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
James Black Foundation Curated by ChEMBL					Assay Description In vitro inhibitory activity against Cholecystokinin type B receptor using [125I]BH-CCK-8S as radioligand in mouse cortical membranes				J Med Chem 39: 1806-15 (1996) Article DOI: 10.1021/jm9508907 BindingDB Entry DOI: 10.7270/Q2571FR6
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (MOUSE)	BDBM50471064 (CHEMBL301810) Show SMILES OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3ccccc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |TLB:41:40:43:36.35.37,41:36:43:40.42.39,THB:39:38:35:40.42.41,39:40:35:38.43.37| Show InChI InChI=1S/C40H39N3O7/c44-35(41-22-40-19-24-10-25(20-40)12-26(11-24)21-40)32-17-27-8-4-5-9-28(27)18-33(32)36(45)43-34(13-23-6-2-1-3-7-23)37(46)42-31-15-29(38(47)48)14-30(16-31)39(49)50/h1-9,14-18,24-26,34H,10-13,19-22H2,(H,41,44)(H,42,46)(H,43,45)(H,47,48)(H,49,50)/t24?,25?,26?,34-,40?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
James Black Foundation Curated by ChEMBL					Assay Description Inhibition of 20 pM [125I]BH-CCK-8S binding to mouse cortical membrane Cholecystokinin 2 receptor				J Med Chem 48: 6790-802 (2005) Article DOI: 10.1021/jm049069y BindingDB Entry DOI: 10.7270/Q2BC428F
					More data for this Ligand-Target Pair