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BDBM50273444 CHEMBL463976::N-Phenyl-2-(pyridin-4-yl)quinoline-4-carboxamide

SMILES: O=C(Nc1ccccc1)c1cc(nc2ccccc12)-c1ccncc1

InChI Key: InChIKey=HNHSNBXXGBXNBF-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50273444   
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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50273444
PNG
(CHEMBL463976 | N-Phenyl-2-(pyridin-4-yl)quinoline-...)
Show SMILES O=C(Nc1ccccc1)c1cc(nc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C21H15N3O/c25-21(23-16-6-2-1-3-7-16)18-14-20(15-10-12-22-13-11-15)24-19-9-5-4-8-17(18)19/h1-14H,(H,23,25)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
100n/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))
BDBM50273444
PNG
(CHEMBL463976 | N-Phenyl-2-(pyridin-4-yl)quinoline-...)
Show SMILES O=C(Nc1ccccc1)c1cc(nc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C21H15N3O/c25-21(23-16-6-2-1-3-7-16)18-14-20(15-10-12-22-13-11-15)24-19-9-5-4-8-17(18)19/h1-14H,(H,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
700n/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