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BDBM50135312 6-(2-Chloro-4-fluoro-phenylsulfanyl)-1-(2,6-dichloro-phenyl)-3,4-dihydro-1H-pyrido[3,2-d]pyrimidin-2-one::CHEMBL128813

SMILES: Fc1ccc(Sc2ccc3N(C(=O)NCc3n2)c2c(Cl)cccc2Cl)c(Cl)c1

InChI Key: InChIKey=WDCXQMIUZVKFEE-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50135312   
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 11


(Homo sapiens (Human))
BDBM50135312
PNG
(6-(2-Chloro-4-fluoro-phenylsulfanyl)-1-(2,6-dichlo...)
Show SMILES Fc1ccc(Sc2ccc3N(C(=O)NCc3n2)c2c(Cl)cccc2Cl)c(Cl)c1
Show InChI InChI=1S/C19H11Cl3FN3OS/c20-11-2-1-3-12(21)18(11)26-15-5-7-17(25-14(15)9-24-19(26)27)28-16-6-4-10(23)8-13(16)22/h1-8H,9H2,(H,24,27)
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PC cid
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Similars

PubMed
n/an/a 57n/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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50135312
PNG
(6-(2-Chloro-4-fluoro-phenylsulfanyl)-1-(2,6-dichlo...)
Show SMILES Fc1ccc(Sc2ccc3N(C(=O)NCc3n2)c2c(Cl)cccc2Cl)c(Cl)c1
Show InChI InChI=1S/C19H11Cl3FN3OS/c20-11-2-1-3-12(21)18(11)26-15-5-7-17(25-14(15)9-24-19(26)27)28-16-6-4-10(23)8-13(16)22/h1-8H,9H2,(H,24,27)
PDB
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PC sid
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PubMed
n/an/a<30n/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 14


(Homo sapiens (Human))
BDBM50135312
PNG
(6-(2-Chloro-4-fluoro-phenylsulfanyl)-1-(2,6-dichlo...)
Show SMILES Fc1ccc(Sc2ccc3N(C(=O)NCc3n2)c2c(Cl)cccc2Cl)c(Cl)c1
Show InChI InChI=1S/C19H11Cl3FN3OS/c20-11-2-1-3-12(21)18(11)26-15-5-7-17(25-14(15)9-24-19(26)27)28-16-6-4-10(23)8-13(16)22/h1-8H,9H2,(H,24,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a 11n/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