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BDBM9646 (S)-N-(1S,2R)-[3-[2-[[(1,1-Dimethylethyl)amino]carbonyl]phenyl]-2-hydroxy-1-(phenylmethyl)-propyl]-2-[(methylsulfonyl)amino]-3-[[p-(trifluoromethyl)-phenyl]sulfonyl]propanamide::D-Cysteine Analog 18h::N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[(2S)-2-methanesulfonamido-3-{[4-(trifluoromethyl)benzene]sulfonyl}propanamido]-4-phenylbutyl]benzamide

SMILES: CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc(cc1)C(F)(F)F)NS(C)(=O)=O

InChI Key: InChIKey=FGQNCFQKCUNIIC-UPRLRBBYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 9646   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
HIV-1 Protease


(Human immunodeficiency virus type 1)		BDBM9646
PNG
((S)-N-(1S,2R)-[3-[2-[[(1,1-Dimethylethyl)amino]car...)
Show SMILES CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc(cc1)C(F)(F)F)NS(C)(=O)=O |r|
Show InChI InChI=1S/C32H38F3N3O7S2/c1-31(2,3)37-29(40)25-13-9-8-12-22(25)19-28(39)26(18-21-10-6-5-7-11-21)36-30(41)27(38-46(4,42)43)20-47(44,45)24-16-14-23(15-17-24)32(33,34)35/h5-17,26-28,38-39H,18-20H2,1-4H3,(H,36,41)(H,37,40)/t26-,27+,28+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



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