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BDBM9659 N-tert-Butyl-N-(2-hydroxyethyl)-2-[3-hydroxy-4-[2-[(2-hydroxyethyl)-(1-methyl-1-(naphth-2-ylethyl)carbamoyl]-phenyl]butyl]benzamide::N-tert-butyl-2-(3-hydroxy-4-{2-[(2-hydroxyethyl)[2-(naphthalen-2-yl)propan-2-yl]carbamoyl]phenyl}butyl)-N-(2-hydroxyethyl)benzamide::Tertiary Amide deriv. 40af

SMILES: CC(C)(C)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccccc1C(=O)N(CCO)C(C)(C)c1ccc2ccccc2c1

InChI Key: InChIKey=QQMCQOZEGIKRSY-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 9659   
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)
BDBM9659
PNG
(N-tert-Butyl-N-(2-hydroxyethyl)-2-[3-hydroxy-4-[2-...)
Show SMILES CC(C)(C)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccccc1C(=O)N(CCO)C(C)(C)c1ccc2ccccc2c1
Show InChI InChI=1S/C39H48N2O5/c1-38(2,3)40(22-24-42)36(45)34-16-10-8-13-29(34)19-21-33(44)27-31-15-9-11-17-35(31)37(46)41(23-25-43)39(4,5)32-20-18-28-12-6-7-14-30(28)26-32/h6-18,20,26,33,42-44H,19,21-25,27H2,1-5H3
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
145 -9.70n/an/an/an/an/a5.637



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