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3 similar compounds to monomer 76336

Compile data set for download or QSAR
Wt: 325.3
BDBM50273446
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Wt: 375.4
BDBM50273392
Wt: 375.4
BDBM50273820

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50273446,50273392,50273820   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50273820
PNG
(CHEMBL515841 | N-(Naphthalen-1-yl)-2-(pyridin-2-yl...)
Show SMILES O=C(Nc1cccc2ccccc12)c1cc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C25H17N3O/c29-25(28-21-14-7-9-17-8-1-2-10-18(17)21)20-16-24(23-13-5-6-15-26-23)27-22-12-4-3-11-19(20)22/h1-16H,(H,28,29)
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Article
PubMed
1.32E+3n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin)


J Med Chem 51: 8000-11 (2008)


Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50273446
PNG
(CHEMBL513115 | N-Phenyl-2-(pyridin-2-yl)quinoline-...)
Show SMILES O=C(Nc1ccccc1)c1cc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C21H15N3O/c25-21(23-15-8-2-1-3-9-15)17-14-20(19-12-6-7-13-22-19)24-18-11-5-4-10-16(17)18/h1-14H,(H,23,25)
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Article
PubMed
3.47E+3n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin)


J Med Chem 51: 8000-11 (2008)


Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50273392
PNG
(CHEMBL456998 | N-(Naphthalen-2-yl)-2-(pyridin-2-yl...)
Show SMILES O=C(Nc1ccc2ccccc2c1)c1cc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C25H17N3O/c29-25(27-19-13-12-17-7-1-2-8-18(17)15-19)21-16-24(23-11-5-6-14-26-23)28-22-10-4-3-9-20(21)22/h1-16H,(H,27,29)
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Article
PubMed
1.07E+4n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin)


J Med Chem 51: 8000-11 (2008)


Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50273446
PNG
(CHEMBL513115 | N-Phenyl-2-(pyridin-2-yl)quinoline-...)
Show SMILES O=C(Nc1ccccc1)c1cc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C21H15N3O/c25-21(23-15-8-2-1-3-9-15)17-14-20(19-12-6-7-13-22-19)24-18-11-5-4-10-16(17)18/h1-14H,(H,23,25)
PDB
MMDB

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Article
PubMed
1.45E+4n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP3A4 NF-14 expressed in Escherichia coli assessed as formation of 6-beta-hydroxytestosterone using testosterone as substr...


J Med Chem 55: 280-90 (2012)


Article DOI: 10.1021/jm201207h
BindingDB Entry DOI: 10.7270/Q2251K9D
More data for this
Ligand-Target Pair