BDBM50073243 (2-{(1S,2S,3R,4S)-1-Benzyl-2,3-dihydroxy-4-[(isoxazole-5-carbonyl)-amino]-5-phenyl-pentylcarbamoyl}-phenyl)-carbamic acid pyridin-2-ylmethyl ester::CHEMBL334053

SMILES: O[C@H]([C@H](Cc1ccccc1)NC(=O)c1ccno1)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1

InChI Key: InChIKey=JFCQCUMIFWYQLQ-NIRAYWGMSA-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 = 50073243   

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)	BDBM50073243 ((2-{(1S,2S,3R,4S)-1-Benzyl-2,3-dihydroxy-4-[(isoxa...) Show SMILES O[C@H]([C@H](Cc1ccccc1)NC(=O)c1ccno1)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1 Show InChI InChI=1S/C36H35N5O7/c42-32(33(43)30(22-25-13-5-2-6-14-25)40-35(45)31-18-20-38-48-31)29(21-24-11-3-1-4-12-24)39-34(44)27-16-7-8-17-28(27)41-36(46)47-23-26-15-9-10-19-37-26/h1-20,29-30,32-33,42-43H,21-23H2,(H,39,44)(H,40,45)(H,41,46)/t29-,30-,32-,33+/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