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BDBM9210 (2R,4S)-2-benzyl-5-[(3S,5R)-5-benzyl-3-[(3-hydroxyphenyl)methyl]-2-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide::Pyrrolidone scaffold 19b

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(O)c2)C1=O

InChI Key: InChIKey=WBFLPKSBVPRYKP-BPZQGUOHSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 9210   
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)		BDBM9210
PNG
((2R,4S)-2-benzyl-5-[(3S,5R)-5-benzyl-3-[(3-hydroxy...)
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(O)c2)C1=O |r|
Show InChI InChI=1S/C39H42N2O5/c42-33-16-9-14-28(21-33)19-31-22-32(20-27-12-5-2-6-13-27)41(39(31)46)25-34(43)23-30(18-26-10-3-1-4-11-26)38(45)40-37-35-17-8-7-15-29(35)24-36(37)44/h1-17,21,30-32,34,36-37,42-44H,18-20,22-25H2,(H,40,45)/t30-,31+,32+,34+,36-,37+/m1/s1
PDB
MMDB

B.MOAD
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PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.0500 -14.0n/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