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BDBM9186 (2R,4S)-5-[(3S,5R)-3,5-dibenzyl-2-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(4-hydroxyphenyl)methyl]pentanamide::pyrrolidinone based inhibitor 1d

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

InChI Key: InChIKey=YVESFUALJPSBIG-BPZQGUOHSA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 9186   
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)		BDBM9186
PNG
((2R,4S)-5-[(3S,5R)-3,5-dibenzyl-2-oxopyrrolidin-1-...)
Show SMILES O[C@@H](C[C@@H](Cc1ccc(O)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/C39H42N2O5/c42-33-17-15-28(16-18-33)19-30(38(45)40-37-35-14-8-7-13-29(35)24-36(37)44)23-34(43)25-41-32(21-27-11-5-2-6-12-27)22-31(39(41)46)20-26-9-3-1-4-10-26/h1-18,30-32,34,36-37,42-44H,19-25H2,(H,40,45)/t30-,31+,32+,34+,36-,37+/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.0600 -13.9 320n/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