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BDBM9228 (2R,4S)-2-benzyl-5-[(3S,5S)-3,5-dibenzyl-1,1-dioxo-1,2-thiazolidin-2-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide::isothiazolidine 1,1-dioxide analog

SMILES: O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)C[C@H](Cc2ccccc2)S1(=O)=O

InChI Key: InChIKey=WPMSUJIOSJKBDT-YSBXLBHBSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 9228   
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)		BDBM9228
PNG
((2R,4S)-2-benzyl-5-[(3S,5S)-3,5-dibenzyl-1,1-dioxo...)
Show SMILES O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)C[C@H](Cc2ccccc2)S1(=O)=O |r|
Show InChI InChI=1S/C38H42N2O5S/c41-33(23-31(20-27-12-4-1-5-13-27)38(43)39-37-35-19-11-10-18-30(35)24-36(37)42)26-40-32(21-28-14-6-2-7-15-28)25-34(46(40,44)45)22-29-16-8-3-9-17-29/h1-19,31-34,36-37,41-42H,20-26H2,(H,39,43)/t31-,32+,33+,34+,36-,37+/m1/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 16 -10.6n/an/an/an/an/a6.425



GlaxoSmithKline



Assay Description
The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...

Bioorg Med Chem Lett 10: 1159-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00163-3
BindingDB Entry DOI: 10.7270/Q2X63K5G
More data for this
Ligand-Target Pair