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BDBM50273393 CHEMBL514730::N-(Naphthalen-1-ylmethyl)-2-(pyridin-4-yl)quinoline-4-carboxamide

SMILES: O=C(NCc1cccc2ccccc12)c1cc(nc2ccccc12)-c1ccncc1

InChI Key: InChIKey=ZDNTVQRVHFQZNJ-UHFFFAOYSA-N

Data: 2 KI

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   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 = 50273393   
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))
BDBM50273393
PNG
(CHEMBL514730 | N-(Naphthalen-1-ylmethyl)-2-(pyridi...)
Show SMILES O=C(NCc1cccc2ccccc12)c1cc(nc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C26H19N3O/c30-26(28-17-20-8-5-7-18-6-1-2-9-21(18)20)23-16-25(19-12-14-27-15-13-19)29-24-11-4-3-10-22(23)24/h1-16H,17H2,(H,28,30)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
113n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of purified CYP2C9 (unknown origin)


J Med Chem 51: 8000-11 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50273393
PNG
(CHEMBL514730 | N-(Naphthalen-1-ylmethyl)-2-(pyridi...)
Show SMILES O=C(NCc1cccc2ccccc12)c1cc(nc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C26H19N3O/c30-26(28-17-20-8-5-7-18-6-1-2-9-21(18)20)23-16-25(19-12-14-27-15-13-19)29-24-11-4-3-10-22(23)24/h1-16H,17H2,(H,28,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
125n/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)

More data for this
Ligand-Target Pair