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BDBM9184 (2R,4S)-2-[(4-benzylphenyl)methyl]-5-[(3S,5R)-3,5-dibenzyl-2-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide::pyrrolidinone based inhibitor 1b

SMILES: O[C@@H](C[C@@H](Cc1ccc(Cc2ccccc2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)C[C@H](Cc2ccccc2)C1=O

InChI Key: InChIKey=IVNAENYCBHJUAM-DSGWVAJWSA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 9184   
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)		BDBM9184
PNG
((2R,4S)-2-[(4-benzylphenyl)methyl]-5-[(3S,5R)-3,5-...)
Show SMILES O[C@@H](C[C@@H](Cc1ccc(Cc2ccccc2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)C[C@H](Cc2ccccc2)C1=O |r|
Show InChI InChI=1S/C46H48N2O4/c49-41(31-48-40(27-34-16-8-3-9-17-34)28-39(46(48)52)26-33-14-6-2-7-15-33)29-38(45(51)47-44-42-19-11-10-18-37(42)30-43(44)50)25-36-22-20-35(21-23-36)24-32-12-4-1-5-13-32/h1-23,38-41,43-44,49-50H,24-31H2,(H,47,51)/t38-,39+,40+,41+,43-,44+/m1/s1
PDB
MMDB

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PC cid
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UniChem

Similars
Article
PubMed
 0.110 -13.6 920n/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 15: 81-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.029
BindingDB Entry DOI: 10.7270/Q29G5K1M
More data for this
Ligand-Target Pair