BDBM50022305 CHEMBL123739::N-{2-Hydroxy-1-isobutyl-4-[1-(2-isobutyrylamino-1-methyl-2-oxo-ethylcarbamoyl)-ethylamino]-butyl}-3-methyl-2-(3-methyl-butyrylamino)-butyramide

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

InChI Key: InChIKey=PEGDKLMWMSJXHC-IPHNJEJOSA-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 = 50022305   

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)	BDBM50022305 (CHEMBL123739 | N-{2-Hydroxy-1-isobutyl-4-[1-(2-iso...) Show SMILES CC(C)C[C@H](NC(=O)C(NC(=O)CC(C)C)C(C)C)[C@@H](O)CC(C)C(=O)NC(C)C(=O)NC(=O)C(C)C Show InChI InChI=1S/C27H50N4O6/c1-14(2)11-20(29-27(37)23(16(5)6)30-22(33)12-15(3)4)21(32)13-18(9)25(35)28-19(10)26(36)31-24(34)17(7)8/h14-21,23,32H,11-13H2,1-10H3,(H,28,35)(H,29,37)(H,30,33)(H,31,34,36)/t18?,19?,20-,21-,23?/m0/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 30: 374-83 (1987) BindingDB Entry DOI: 10.7270/Q2KP815G
					More data for this Ligand-Target Pair