Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pepsin A' and Ligand = 'BDBM50027911'   

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
Pepsin A (Porcine)	BDBM50027911 (3-Hydroxy-6-methyl-4-[4-methyl-2-(3-methyl-butyryl...) Show SMILES CC(C)CCNC(=O)C(C)NC(=O)CC(O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)CC(C)C Show InChI InChI=1S/C27H52N4O5/c1-16(2)10-11-28-26(35)20(9)29-25(34)15-23(32)21(12-17(3)4)31-27(36)22(13-18(5)6)30-24(33)14-19(7)8/h16-23,32H,10-15H2,1-9H3,(H,28,35)(H,29,34)(H,30,33)(H,31,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for time independent inhibition constant against porcine pepsin				J Med Chem 26: 904-10 (1983) BindingDB Entry DOI: 10.7270/Q2057DX2
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