BDBM50025898 3-Hydroxy-6-methyl-4-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-heptanoic acid [1-methyl-2-(4-methyl-pentanoylamino)-2-oxo-ethyl]-amide::CHEMBL433370

SMILES: CC(C)CCC(=O)NC(=O)[C@@H](C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C

InChI Key: InChIKey=UMEIUZIFBXYSRW-OEPOVDHGSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50025898   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Pepsin A (Porcine)	BDBM50025898 (3-Hydroxy-6-methyl-4-[3-methyl-2-(3-methyl-butyryl...) Show SMILES CC(C)CCC(=O)NC(=O)[C@@H](C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C Show InChI InChI=1S/C27H50N4O6/c1-15(2)10-11-22(33)31-26(36)19(9)28-24(35)14-21(32)20(12-16(3)4)29-27(37)25(18(7)8)30-23(34)13-17(5)6/h15-21,25,32H,10-14H2,1-9H3,(H,28,35)(H,29,37)(H,30,34)(H,31,33,36)/t19-,20+,21?,25+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	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
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