BDBM385 Urethane deriv. 4::cyclopentyl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-1-phenylpentan-2-yl]carbamate

SMILES: O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@H](Cc1ccccc1)NC(=O)OC1CCCC1

InChI Key: InChIKey=UMNROTOYYWSPDV-KHQGQIEXSA-N

Data: 1 IC50

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 = 385   

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
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM385 (Urethane deriv. 4 | cyclopentyl N-[(2S,3S,5R)-5-be...) Show SMILES O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@H](Cc1ccccc1)NC(=O)OC1CCCC1 |r| Show InChI InChI=1S/C34H40N2O5/c37-30(29(20-24-13-5-2-6-14-24)35-34(40)41-27-16-8-9-17-27)22-26(19-23-11-3-1-4-12-23)33(39)36-32-28-18-10-7-15-25(28)21-31(32)38/h1-7,10-15,18,26-27,29-32,37-38H,8-9,16-17,19-22H2,(H,35,40)(H,36,39)/t26-,29+,30+,31-,32+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	5.5	30
Merck Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 36: 292-4 (1993) Article DOI: 10.1021/jm00054a015 BindingDB Entry DOI: 10.7270/Q25D8Q1G
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