Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50226888'   

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
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor (RAT)	BDBM50226888 (CHEMBL1159904) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CN[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)CC(C)C |r| Show InChI InChI=1S/C52H71N9O14S/c1-7-8-17-39(59-50(69)42(61-51(70)74-52(4,5)6)25-33-19-21-36(22-20-33)75-76(71,72)73)47(66)56-30-44(62)58-43(26-34-28-54-38-18-13-12-16-37(34)38)49(68)57-35(23-31(2)3)29-55-41(27-45(63)64)48(67)60-40(46(53)65)24-32-14-10-9-11-15-32/h9-16,18-22,28,31,35,39-43,54-55H,7-8,17,23-27,29-30H2,1-6H3,(H2,53,65)(H,56,66)(H,57,68)(H,58,62)(H,59,69)(H,60,67)(H,61,70)(H,63,64)(H,71,72,73)/t35-,39-,40-,41-,42-,43-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]BH-CCK-9 binding to Cholecystokinin receptor of rat pancreatic acini				J Med Chem 30: 1366-73 (1987) BindingDB Entry DOI: 10.7270/Q2930WDK
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50226888 (CHEMBL1159904) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CN[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)CC(C)C |r| Show InChI InChI=1S/C52H71N9O14S/c1-7-8-17-39(59-50(69)42(61-51(70)74-52(4,5)6)25-33-19-21-36(22-20-33)75-76(71,72)73)47(66)56-30-44(62)58-43(26-34-28-54-38-18-13-12-16-37(34)38)49(68)57-35(23-31(2)3)29-55-41(27-45(63)64)48(67)60-40(46(53)65)24-32-14-10-9-11-15-32/h9-16,18-22,28,31,35,39-43,54-55H,7-8,17,23-27,29-30H2,1-6H3,(H2,53,65)(H,56,66)(H,57,68)(H,58,62)(H,59,69)(H,60,67)(H,61,70)(H,63,64)(H,71,72,73)/t35-,39-,40-,41-,42-,43-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]BH-CCK-9 binding to Cholecystokinin receptor of guinea pig brain membranes				J Med Chem 30: 1366-73 (1987) BindingDB Entry DOI: 10.7270/Q2930WDK
					More data for this Ligand-Target Pair