BDBM50156006 2-{2-[(2R,4S)-5-(2-Benzyloxycarbonylamino-propionylamino)-4-hydroxy-2-methyl-6-phenyl-hexanoylamino]-3-methyl-butyrylamino}-3-methyl-butyric acid methyl ester::CHEMBL188255

SMILES: COC(=O)C(NC(=O)C(NC(=O)[C@H](C)C[C@H](O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)OCc1ccccc1)C(C)C)C(C)C

InChI Key: InChIKey=OXOWOCPFNWAZKE-QUWILOPLSA-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 = 50156006   

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
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50156006 (2-{2-[(2R,4S)-5-(2-Benzyloxycarbonylamino-propiony...) Show SMILES COC(=O)C(NC(=O)C(NC(=O)[C@H](C)C[C@H](O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)OCc1ccccc1)C(C)C)C(C)C Show InChI InChI=1S/C35H50N4O8/c1-21(2)29(33(43)39-30(22(3)4)34(44)46-7)38-31(41)23(5)18-28(40)27(19-25-14-10-8-11-15-25)37-32(42)24(6)36-35(45)47-20-26-16-12-9-13-17-26/h8-17,21-24,27-30,40H,18-20H2,1-7H3,(H,36,45)(H,37,42)(H,38,41)(H,39,43)/t23-,24?,27?,28+,29?,30?/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Zürich Curated by ChEMBL					Assay Description Binding affinity towards human immunodeficiency virus type 1 protease determined using continuum electrostatics solvation				J Med Chem 47: 5791-7 (2004) Article DOI: 10.1021/jm049726m BindingDB Entry DOI: 10.7270/Q2NG4Q3W
					More data for this Ligand-Target Pair