Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50281674'   

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))	BDBM50281674 ((S)-N-(1-Benzyl-2-phenyl-ethyl)-3-{(S)-2-[(S)-2-(2...) 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](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)NC(Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C58H74N8O14S/c1-6-8-23-45(63-55(73)47(66-57(75)79-58(3,4)5)32-39-26-28-42(29-27-39)80-81(76,77)78)52(70)60-36-50(67)62-48(33-40-35-59-44-25-17-16-22-43(40)44)56(74)64-46(24-9-7-2)53(71)65-49(34-51(68)69)54(72)61-41(30-37-18-12-10-13-19-37)31-38-20-14-11-15-21-38/h10-22,25-29,35,41,45-49,59H,6-9,23-24,30-34,36H2,1-5H3,(H,60,70)(H,61,72)(H,62,67)(H,63,73)(H,64,74)(H,65,71)(H,66,75)(H,68,69)(H,76,77,78)/t45-,46-,47-,48-,49-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity against Cholecystokinin type B receptor in guinea pig brain membranes				Bioorg Med Chem Lett 3: 851-854 (1993) Article DOI: 10.1016/S0960-894X(00)80679-4 BindingDB Entry DOI: 10.7270/Q2J9669G
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (RAT)	BDBM50281674 ((S)-N-(1-Benzyl-2-phenyl-ethyl)-3-{(S)-2-[(S)-2-(2...) 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](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)NC(Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C58H74N8O14S/c1-6-8-23-45(63-55(73)47(66-57(75)79-58(3,4)5)32-39-26-28-42(29-27-39)80-81(76,77)78)52(70)60-36-50(67)62-48(33-40-35-59-44-25-17-16-22-43(40)44)56(74)64-46(24-9-7-2)53(71)65-49(34-51(68)69)54(72)61-41(30-37-18-12-10-13-19-37)31-38-20-14-11-15-21-38/h10-22,25-29,35,41,45-49,59H,6-9,23-24,30-34,36H2,1-5H3,(H,60,70)(H,61,72)(H,62,67)(H,63,73)(H,64,74)(H,65,71)(H,66,75)(H,68,69)(H,76,77,78)/t45-,46-,47-,48-,49-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity against Cholecystokinin type B receptor of rat pancreatic acini				Bioorg Med Chem Lett 3: 851-854 (1993) Article DOI: 10.1016/S0960-894X(00)80679-4 BindingDB Entry DOI: 10.7270/Q2J9669G
					More data for this Ligand-Target Pair