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BDBM9214 (2R,4S)-2-benzyl-5-[(3S,5R)-5-benzyl-3-{[3-(cyanomethoxy)phenyl]methyl}-2-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide::Pyrrolidone scaffold 22

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](Cc2cccc(OCC#N)c2)C1=O

InChI Key: InChIKey=NCADWTKSQWEMEA-SELSBJTMSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 9214   
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)		BDBM9214
PNG
((2R,4S)-2-benzyl-5-[(3S,5R)-5-benzyl-3-{[3-(cyanom...)
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](Cc2cccc(OCC#N)c2)C1=O |r|
Show InChI InChI=1S/C41H43N3O5/c42-18-19-49-36-16-9-14-30(23-36)21-33-24-34(22-29-12-5-2-6-13-29)44(41(33)48)27-35(45)25-32(20-28-10-3-1-4-11-28)40(47)43-39-37-17-8-7-15-31(37)26-38(39)46/h1-17,23,32-35,38-39,45-46H,19-22,24-27H2,(H,43,47)/t32-,33+,34+,35+,38-,39+/m1/s1
PDB
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UniChem

Similars
Article
PubMed
 0.0800 -13.8n/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 14: 5689-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.039
BindingDB Entry DOI: 10.7270/Q21Z42M0
More data for this
Ligand-Target Pair