Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pepsin A' and Ligand = 'BDBM50022513'   

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)	BDBM50022513 (CHEMBL3349389 | H2N-Phe-Gly-His-(S,S)-Sta-Ala-Phe-...) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1 Show InChI InChI=1S/C38H52N8O8/c1-23(2)15-29(32(47)19-33(48)43-24(3)35(50)46-31(38(53)54-4)17-26-13-9-6-10-14-26)45-37(52)30(18-27-20-40-22-42-27)44-34(49)21-41-36(51)28(39)16-25-11-7-5-8-12-25/h5-14,20,22-24,28-32,47H,15-19,21,39H2,1-4H3,(H,40,42)(H,41,51)(H,43,48)(H,44,49)(H,45,52)(H,46,50)/t24-,28-,29?,30-,31-,32?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	4.0	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Inhibition of porcine pepsin at pH 4				J Med Chem 31: 625-9 (1988) BindingDB Entry DOI: 10.7270/Q2B85742
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