BindingDB logo
myBDB logout

BDBM50135309 6-(2-Chloro-4-fluoro-phenylsulfanyl)-1-o-tolyl-3,4-dihydro-1H-pyrido[3,2-d]pyrimidin-2-one::CHEMBL128516

SMILES: Cc1ccccc1N1C(=O)NCc2nc(Sc3ccc(F)cc3Cl)ccc12

InChI Key: InChIKey=NMIPNOFQZFCFCK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50135309   
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))
BDBM50135309
PNG
(6-(2-Chloro-4-fluoro-phenylsulfanyl)-1-o-tolyl-3,4...)
Show SMILES Cc1ccccc1N1C(=O)NCc2nc(Sc3ccc(F)cc3Cl)ccc12
Show InChI InChI=1S/C20H15ClFN3OS/c1-12-4-2-3-5-16(12)25-17-7-9-19(24-15(17)11-23-20(25)26)27-18-8-6-13(22)10-14(18)21/h2-10H,11H2,1H3,(H,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 52n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase p38 beta at 1000 nM


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))
BDBM50135309
PNG
(6-(2-Chloro-4-fluoro-phenylsulfanyl)-1-o-tolyl-3,4...)
Show SMILES Cc1ccccc1N1C(=O)NCc2nc(Sc3ccc(F)cc3Cl)ccc12
Show InChI InChI=1S/C20H15ClFN3OS/c1-12-4-2-3-5-16(12)25-17-7-9-19(24-15(17)11-23-20(25)26)27-18-8-6-13(22)10-14(18)21/h2-10H,11H2,1H3,(H,23,26)
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 180n/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