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SMILES: COc1ccc2ccccc2c1\C=N\NC(=O)C1CCC(CC1)c1ccc(Cl)cc1

InChI Key: InChIKey=NYSSHZUZNGBACC-JVWAILMASA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 33961   
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
Gag-Pol polyprotein [600-1028,C879S]/[600-1151,C879S]


(Human immunodeficiency virus type 1)
BDBM33961
PNG
(dihydroxy benzoyl naphthyl hydrazone (DHBNH) analo...)
Show SMILES COc1ccc2ccccc2c1\C=N\NC(=O)C1CCC(CC1)c1ccc(Cl)cc1 |(-7.76,3.32,;-9.3,3.33,;-10.06,4.66,;-11.6,4.67,;-12.37,6,;-11.59,7.34,;-12.36,8.67,;-11.58,10,;-10.04,10,;-9.28,8.66,;-10.05,7.33,;-9.29,5.99,;-7.75,5.99,;-6.98,4.66,;-5.44,4.66,;-4.67,3.33,;-5.44,1.99,;-3.13,3.33,;-2.3,4.63,;-.76,4.56,;-.05,3.2,;-.87,1.9,;-2.41,1.96,;1.49,3.14,;2.2,4.51,;3.74,4.57,;4.57,3.28,;6.11,3.34,;3.86,1.91,;2.32,1.84,)|
Show InChI InChI=1S/C25H25ClN2O2/c1-30-24-15-12-19-4-2-3-5-22(19)23(24)16-27-28-25(29)20-8-6-17(7-9-20)18-10-13-21(26)14-11-18/h2-5,10-17,20H,6-9H2,1H3,(H,28,29)/b27-16+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/a7.837



Rutgers University



Assay Description
HIV-1 RT RDDP activity was generally determined by a fixed time assay. Briefly, reaction mixtures contained p51/p66 RT, template-primer, and [3H]-TTP...


ACS Chem Biol 1: 702-12 (2006)


Article DOI: 10.1021/cb600303y
BindingDB Entry DOI: 10.7270/Q2FF3QQC
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1028,C879S]/[600-1151,C879S]


(Human immunodeficiency virus type 1)
BDBM33961
PNG
(dihydroxy benzoyl naphthyl hydrazone (DHBNH) analo...)
Show SMILES COc1ccc2ccccc2c1\C=N\NC(=O)C1CCC(CC1)c1ccc(Cl)cc1 |(-7.76,3.32,;-9.3,3.33,;-10.06,4.66,;-11.6,4.67,;-12.37,6,;-11.59,7.34,;-12.36,8.67,;-11.58,10,;-10.04,10,;-9.28,8.66,;-10.05,7.33,;-9.29,5.99,;-7.75,5.99,;-6.98,4.66,;-5.44,4.66,;-4.67,3.33,;-5.44,1.99,;-3.13,3.33,;-2.3,4.63,;-.76,4.56,;-.05,3.2,;-.87,1.9,;-2.41,1.96,;1.49,3.14,;2.2,4.51,;3.74,4.57,;4.57,3.28,;6.11,3.34,;3.86,1.91,;2.32,1.84,)|
Show InChI InChI=1S/C25H25ClN2O2/c1-30-24-15-12-19-4-2-3-5-22(19)23(24)16-27-28-25(29)20-8-6-17(7-9-20)18-10-13-21(26)14-11-18/h2-5,10-17,20H,6-9H2,1H3,(H,28,29)/b27-16+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.50E+3n/an/an/an/a8.037



Rutgers University



Assay Description
To assess the effect of inhibitors, RT RNH activity was measured using a FRET-based microplate fluorescence assay. Briefly, the RNA-DNA hybrid duplex...


ACS Chem Biol 1: 702-12 (2006)


Article DOI: 10.1021/cb600303y
BindingDB Entry DOI: 10.7270/Q2FF3QQC
More data for this
Ligand-Target Pair