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BDBM9667 2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)carbamoyl]phenyl}-2-hydroxybutyl)-N-(2-hydroxyethyl)-5-methyl-N-[2-(oxan-4-yl)propan-2-yl]benzamide::N-(1-Ethylcyclopentyl)-N-(2-hydroxyethyl)-2-[3-hydroxy-4-[2-[(2-hydroxyethyl)[1-methyl-1-(tetrahydropyran-4-yl)ethyl]carbamoyl]-4-methylphenyl]butyl]-benzamide::Tertiary Amide deriv. 42ci

SMILES: CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CCO)C(C)(C)C1CCOCC1

InChI Key: InChIKey=VPXDKZOIMQMIRC-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 9667   
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)
BDBM9667
PNG
(2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)carba...)
Show SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CCO)C(C)(C)C1CCOCC1
Show InChI InChI=1S/C38H56N2O6/c1-5-38(18-8-9-19-38)40(21-23-42)35(44)33-11-7-6-10-29(33)14-15-32(43)27-30-13-12-28(2)26-34(30)36(45)39(20-22-41)37(3,4)31-16-24-46-25-17-31/h6-7,10-13,26,31-32,41-43H,5,8-9,14-25,27H2,1-4H3
PDB
MMDB

B.MOAD
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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
35n/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