BDBM50073246 CHEMBL333392::{2-[(1S,3S,4S)-1-Benzyl-3-hydroxy-4-(3-hydroxy-benzoylamino)-5-phenyl-pentylcarbamoyl]-phenyl}-carbamic acid pyridin-2-ylmethyl ester

SMILES: O[C@@H](C[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1

InChI Key: InChIKey=KKZRCEXYVFUNES-AENKNVQRSA-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 = 50073246   

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)	BDBM50073246 (CHEMBL333392 | {2-[(1S,3S,4S)-1-Benzyl-3-hydroxy-4...) Show SMILES O[C@@H](C[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1 Show InChI InChI=1S/C39H38N4O6/c44-32-18-11-16-29(24-32)37(46)42-35(23-28-14-5-2-6-15-28)36(45)25-31(22-27-12-3-1-4-13-27)41-38(47)33-19-7-8-20-34(33)43-39(48)49-26-30-17-9-10-21-40-30/h1-21,24,31,35-36,44-45H,22-23,25-26H2,(H,41,47)(H,42,46)(H,43,48)/t31-,35-,36-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AIDS Drug Screening and Development Laboratory, SA Curated by ChEMBL					Assay Description Inhibitory activity against HIV protease				Bioorg Med Chem Lett 8: 3537-42 (1999) BindingDB Entry DOI: 10.7270/Q2HM57MB
					More data for this Ligand-Target Pair