Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50281676'   

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)	BDBM50281676 ((S)-3-{(S)-2-[(R)-2-(2-{(S)-2-[(S)-2-tert-Butoxyca...) 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)N(C)CCc1ccccc1 Show InChI InChI=1S/C52H70N8O14S/c1-7-9-19-39(56-48(66)41(59-51(69)73-52(3,4)5)28-34-22-24-36(25-23-34)74-75(70,71)72)46(64)54-32-44(61)55-42(29-35-31-53-38-21-15-14-18-37(35)38)49(67)57-40(20-10-8-2)47(65)58-43(30-45(62)63)50(68)60(6)27-26-33-16-12-11-13-17-33/h11-18,21-25,31,39-43,53H,7-10,19-20,26-30,32H2,1-6H3,(H,54,64)(H,55,61)(H,56,66)(H,57,67)(H,58,65)(H,59,69)(H,62,63)(H,70,71,72)/t39-,40-,41-,42+,43-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	1.10E+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
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50281676 ((S)-3-{(S)-2-[(R)-2-(2-{(S)-2-[(S)-2-tert-Butoxyca...) 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)N(C)CCc1ccccc1 Show InChI InChI=1S/C52H70N8O14S/c1-7-9-19-39(56-48(66)41(59-51(69)73-52(3,4)5)28-34-22-24-36(25-23-34)74-75(70,71)72)46(64)54-32-44(61)55-42(29-35-31-53-38-21-15-14-18-37(35)38)49(67)57-40(20-10-8-2)47(65)58-43(30-45(62)63)50(68)60(6)27-26-33-16-12-11-13-17-33/h11-18,21-25,31,39-43,53H,7-10,19-20,26-30,32H2,1-6H3,(H,54,64)(H,55,61)(H,56,66)(H,57,67)(H,58,65)(H,59,69)(H,62,63)(H,70,71,72)/t39-,40-,41-,42+,43-/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	1.80E+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 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