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BDBM9648 (S)-N-(1S,2R)-[3-[2-[[(1,1-Dimethylethyl)amino]carbonyl]phenyl]-2-hydroxy-1-(phenylmethyl)-propyl]-2-[(methylsulfonyl)amino]-3-[(p-chlorophenyl)-sulfonyl]propanamide::D-Cysteine Analog 18k::N-tert-butyl-2-[(2R,3S)-3-[(2S)-3-[(4-chlorobenzene)sulfonyl]-2-methanesulfonamidopropanamido]-2-hydroxy-4-phenylbutyl]benzamide

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

InChI Key: InChIKey=DXCSFZCMVRDPHH-UPRLRBBYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 9648   
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)		BDBM9648
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(Cl)cc1)NS(C)(=O)=O |r|
Show InChI InChI=1S/C31H38ClN3O7S2/c1-31(2,3)34-29(37)25-13-9-8-12-22(25)19-28(36)26(18-21-10-6-5-7-11-21)33-30(38)27(35-43(4,39)40)20-44(41,42)24-16-14-23(32)15-17-24/h5-17,26-28,35-36H,18-20H2,1-4H3,(H,33,38)(H,34,37)/t26-,27+,28+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.340n/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