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BDBM9662 2-(4-{2-[tert-butyl(2-hydroxyethyl)carbamoyl]phenyl}-2-hydroxybutyl)-N-(2-hydroxyethyl)-5-methyl-N-(2-phenylpropan-2-yl)benzamide::N-tert-Butyl-N-(2-hydroxyethyl)-2-[3-hydroxy-4-[2-[(2-hydroxyethyl)(1-methyl-1-phenylethyl)carbamoyl]-4-methylphenyl]butyl]benzamide::Tertiary Amide deriv. 42ab

SMILES: Cc1ccc(CC(O)CCc2ccccc2C(=O)N(CCO)C(C)(C)C)c(c1)C(=O)N(CCO)C(C)(C)c1ccccc1

InChI Key: InChIKey=JADNFEPHYDBRDW-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 9662   
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)
BDBM9662
PNG
(2-(4-{2-[tert-butyl(2-hydroxyethyl)carbamoyl]pheny...)
Show SMILES Cc1ccc(CC(O)CCc2ccccc2C(=O)N(CCO)C(C)(C)C)c(c1)C(=O)N(CCO)C(C)(C)c1ccccc1
Show InChI InChI=1S/C36H48N2O5/c1-26-16-17-28(32(24-26)34(43)38(21-23-40)36(5,6)29-13-8-7-9-14-29)25-30(41)19-18-27-12-10-11-15-31(27)33(42)37(20-22-39)35(2,3)4/h7-17,24,30,39-41H,18-23,25H2,1-6H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
63n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...


J Med Chem 39: 2795-811 (1996)


Article DOI: 10.1021/jm960092w
BindingDB Entry DOI: 10.7270/Q2028PRG
More data for this
Ligand-Target Pair