Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50003667'   

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 (Bos taurus)	BDBM50003667 (4-{2-Acetylamino-2-[1-({[1-{1-[2-carbamoyl-1-(1-ca...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C47H60N10O12S3/c1-27(58)52-37(22-29-13-15-31(16-14-29)72(67,68)69)45(64)54-34(17-19-70-2)43(62)51-26-41(60)53-38(23-30-25-50-33-12-8-7-11-32(30)33)46(65)55-35(18-20-71-3)44(63)57-39(24-40(48)59)47(66)56-36(42(49)61)21-28-9-5-4-6-10-28/h4-16,25,34-39,50H,17-24,26H2,1-3H3,(H2,48,59)(H2,49,61)(H,51,62)(H,52,58)(H,53,60)(H,54,64)(H,55,65)(H,56,66)(H,57,63)(H,67,68,69)/t34-,35-,36-,37-,38-,39-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Concentration inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type B receptor of bovine striatum.				J Med Chem 35: 4249-52 (1992) BindingDB Entry DOI: 10.7270/Q2Z60N07
					More data for this Ligand-Target Pair