BDBM9615 (S)-N-(1S,2R)-[3-[2-[[(1,1-Dimethylethyl)amino]carbonyl]phenyl]-2-hydroxy-1-(phenylmethyl)-propyl]-2-(acetoxyamino)-3-(2-quinolinylthio)propanamide::D-Cysteine Analog 13b::N-tert-butyl-2-[(2R,3S)-3-[(2S)-2-acetamido-3-(quinolin-2-ylsulfanyl)propanamido]-2-hydroxy-4-phenylbutyl]benzamide

SMILES: CC(=O)N[C@H](CSc1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C

InChI Key: InChIKey=FGEJZONGXLJECE-OJDZSJEKSA-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 = 9615   

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)	BDBM9615 ((S)-N-(1S,2R)-[3-[2-[[(1,1-Dimethylethyl)amino]car...) Show SMILES CC(=O)N[C@H](CSc1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C35H40N4O4S/c1-23(40)36-30(22-44-32-19-18-25-14-9-11-17-28(25)37-32)34(43)38-29(20-24-12-6-5-7-13-24)31(41)21-26-15-8-10-16-27(26)33(42)39-35(2,3)4/h5-19,29-31,41H,20-22H2,1-4H3,(H,36,40)(H,38,43)(H,39,42)/t29-,30+,31+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.7	n/a	n/a	n/a	n/a	5.5	37
Lilly Research Laboratories					Assay Description The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...				J Med Chem 39: 96-108 (1996) Article DOI: 10.1021/jm950576c BindingDB Entry DOI: 10.7270/Q23R0R3K
					More data for this Ligand-Target Pair