Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Pepsin A' and Ligand = 'BDBM50025889'   

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)	BDBM50025889 (3-Hydroxy-6-methyl-4-(methyl-{3-methyl-2-[3-methyl...) Show SMILES CC(C)CCC(=O)NC(=O)[C@H](C)NC(=O)CC(O)[C@@H](CC(C)C)N(C)C(=O)[C@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C Show InChI InChI=1S/C33H61N5O7/c1-18(2)13-14-26(40)36-31(43)23(11)34-28(42)17-25(39)24(15-19(3)4)38(12)33(45)30(22(9)10)37-32(44)29(21(7)8)35-27(41)16-20(5)6/h18-25,29-30,39H,13-17H2,1-12H3,(H,34,42)(H,35,41)(H,37,44)(H,36,40,43)/t23-,24+,25?,29-,30+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of porcine pepsin				J Med Chem 28: 263-73 (1985) BindingDB Entry DOI: 10.7270/Q2ST7NW6
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50025889 (3-Hydroxy-6-methyl-4-(methyl-{3-methyl-2-[3-methyl...) Show SMILES CC(C)CCC(=O)NC(=O)[C@H](C)NC(=O)CC(O)[C@@H](CC(C)C)N(C)C(=O)[C@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C Show InChI InChI=1S/C33H61N5O7/c1-18(2)13-14-26(40)36-31(43)23(11)34-28(42)17-25(39)24(15-19(3)4)38(12)33(45)30(22(9)10)37-32(44)29(21(7)8)35-27(41)16-20(5)6/h18-25,29-30,39H,13-17H2,1-12H3,(H,34,42)(H,35,41)(H,37,44)(H,36,40,43)/t23-,24+,25?,29-,30+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of porcine pepsin				J Med Chem 28: 263-73 (1985) BindingDB Entry DOI: 10.7270/Q2ST7NW6
					More data for this Ligand-Target Pair