BDBM50156011 2-{2-[(2R,4S)-5-(2-Benzyloxycarbonylamino-propionylamino)-4-hydroxy-2-isobutyl-6-phenyl-hexanoylamino]-3-methyl-butyrylamino}-3-methyl-butyric acid methyl ester::CHEMBL186052

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

InChI Key: InChIKey=YVENLASUPXUYFI-PJPJFBHBSA-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 = 50156011   

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)	BDBM50156011 (2-{2-[(2R,4S)-5-(2-Benzyloxycarbonylamino-propiony...) Show SMILES COC(=O)C(NC(=O)C(NC(=O)[C@H](CC(C)C)C[C@H](O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)OCc1ccccc1)C(C)C)C(C)C Show InChI InChI=1S/C38H56N4O8/c1-23(2)19-29(35(45)41-32(24(3)4)36(46)42-33(25(5)6)37(47)49-8)21-31(43)30(20-27-15-11-9-12-16-27)40-34(44)26(7)39-38(48)50-22-28-17-13-10-14-18-28/h9-18,23-26,29-33,43H,19-22H2,1-8H3,(H,39,48)(H,40,44)(H,41,45)(H,42,46)/t26?,29-,30?,31+,32?,33?/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	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