Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholecystokinin' and Ligand = 'BDBM82384'   

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 (RAT)	BDBM82384 (Benzyloxycarbonyl CCK(27-32)NH2) Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C43H53N7O13S3/c1-64-18-16-33(48-39(54)31(44)20-26-12-14-29(15-13-26)63-66(59,60)61)40(55)46-24-37(51)47-35(21-28-23-45-32-11-7-6-10-30(28)32)42(57)49-34(17-19-65-2)41(56)50-36(22-38(52)53)43(58)62-25-27-8-4-3-5-9-27/h3-15,23,31,33-36,45H,16-22,24-25,44H2,1-2H3,(H,46,55)(H,47,51)(H,48,54)(H,49,57)(H,50,56)(H,52,53)(H,59,60,61)/t31-,33-,34-,35-,36-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 83: 4918-22 (1986) Article DOI: 10.1073/pnas.83.13.4918 BindingDB Entry DOI: 10.7270/Q2445K05
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