BDBM50073249 CHEMBL331199::{2-[(1S,3S,4S)-4-(3-Amino-benzoylamino)-1-benzyl-3-hydroxy-5-phenyl-pentylcarbamoyl]-phenyl}-carbamic acid pyridin-2-ylmethyl ester

SMILES: Nc1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1

InChI Key: InChIKey=CVQXOSJUWRFKFF-PUBVIUOISA-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 = 50073249   

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)	BDBM50073249 (CHEMBL331199 | {2-[(1S,3S,4S)-4-(3-Amino-benzoylam...) Show SMILES Nc1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1 Show InChI InChI=1S/C39H39N5O5/c40-30-17-11-16-29(24-30)37(46)43-35(23-28-14-5-2-6-15-28)36(45)25-32(22-27-12-3-1-4-13-27)42-38(47)33-19-7-8-20-34(33)44-39(48)49-26-31-18-9-10-21-41-31/h1-21,24,32,35-36,45H,22-23,25-26,40H2,(H,42,47)(H,43,46)(H,44,48)/t32-,35-,36-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	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