Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor type A' and Ligand = 'BDBM50003199'   

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 (RAT)	BDBM50003199 (CHEMBL126008 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(NC(=O)[C@H](Cc2ccc(cc2)S(O)(=O)=O)NC(O)=O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C46H50N8O13S2/c1-68-20-19-34(42(59)53-38(24-39(55)56)45(62)51-35(40(47)57)21-26-7-3-2-4-8-26)50-44(61)37(23-29-25-48-33-10-6-5-9-32(29)33)52-41(58)28-13-15-30(16-14-28)49-43(60)36(54-46(63)64)22-27-11-17-31(18-12-27)69(65,66)67/h2-18,25,34-38,48,54H,19-24H2,1H3,(H2,47,57)(H,49,60)(H,50,61)(H,51,62)(H,52,58)(H,53,59)(H,55,56)(H,63,64)(H,65,66,67)/t34-,35-,36-,37-,38-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description The compound was tested in vitro for inhibition of specific [3H]-propanoyl-CCK-8 binding to Cholecystokinin type A receptor in rat pancreatic membran...				J Med Chem 35: 3774-83 (1992) BindingDB Entry DOI: 10.7270/Q2CC0ZMG
					More data for this Ligand-Target Pair