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BDBM50135292 1-(2-Chloro-phenyl)-6-(4-fluoro-phenylsulfanyl)-3,4-dihydro-1H-pyrido[3,2-d]pyrimidin-2-one::CHEMBL338612

SMILES: Fc1ccc(Sc2ccc3N(C(=O)NCc3n2)c2ccccc2Cl)cc1

InChI Key: InChIKey=WJKXYGGZKSIWQJ-UHFFFAOYSA-N

Data: 2 IC50

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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 = 50135292   
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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50135292
PNG
(1-(2-Chloro-phenyl)-6-(4-fluoro-phenylsulfanyl)-3,...)
Show SMILES Fc1ccc(Sc2ccc3N(C(=O)NCc3n2)c2ccccc2Cl)cc1
Show InChI InChI=1S/C19H13ClFN3OS/c20-14-3-1-2-4-16(14)24-17-9-10-18(23-15(17)11-22-19(24)25)26-13-7-5-12(21)6-8-13/h1-10H,11H2,(H,22,25)
PDB
MMDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a 69n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 13: 3979-82 (2003)


BindingDB Entry DOI: 10.7270/Q2RJ4HWB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50135292
PNG
(1-(2-Chloro-phenyl)-6-(4-fluoro-phenylsulfanyl)-3,...)
Show SMILES Fc1ccc(Sc2ccc3N(C(=O)NCc3n2)c2ccccc2Cl)cc1
Show InChI InChI=1S/C19H13ClFN3OS/c20-14-3-1-2-4-16(14)24-17-9-10-18(23-15(17)11-22-19(24)25)26-13-7-5-12(21)6-8-13/h1-10H,11H2,(H,22,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 530n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mitogen-activated protein kinase p38 beta


Bioorg Med Chem Lett 13: 3979-82 (2003)


BindingDB Entry DOI: 10.7270/Q2RJ4HWB
More data for this
Ligand-Target Pair