Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pepsin A' and Ligand = 'BDBM50028311'   

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)	BDBM50028311 (3-Hydroxy-6-methyl-4-(3-methyl-butyrylamino)-hepta...) Show SMILES CC(C)CCNC(=O)[C@@H](C)NC(=O)C[C@H](O)C(CC(C)C)NC(=O)CC(C)C Show InChI InChI=1S/C21H41N3O4/c1-13(2)8-9-22-21(28)16(7)23-20(27)12-18(25)17(10-14(3)4)24-19(26)11-15(5)6/h13-18,25H,8-12H2,1-7H3,(H,22,28)(H,23,27)(H,24,26)/t16-,17?,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Pepsin inhibition was measured using the synthetic heptapeptide substrate Phe-Gly-His-Phe-(N02)-Phe-Ala- Phe-OMe				J Med Chem 23: 27-33 (1980) BindingDB Entry DOI: 10.7270/Q24T6HCJ
					More data for this Ligand-Target Pair