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SMILES: Nc1nc(N)c(F)c(-c2nc(c(s2)-c2ccncc2)-c2ccc(F)cc2)c1F

InChI Key: InChIKey=GOLMRNFJEMQOKO-UHFFFAOYSA-N

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 = 50116028   
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


(Mus musculus (mouse))
BDBM50116028
PNG
(3,5-Difluoro-4-[4-(4-fluoro-phenyl)-5-pyridin-4-yl...)
Show SMILES Nc1nc(N)c(F)c(-c2nc(c(s2)-c2ccncc2)-c2ccc(F)cc2)c1F
Show InChI InChI=1S/C19H12F3N5S/c20-11-3-1-9(2-4-11)15-16(10-5-7-25-8-6-10)28-19(26-15)12-13(21)17(23)27-18(24)14(12)22/h1-8H,(H4,23,24,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 140n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vivo inhibition of murine Mitogen-activated protein kinase p38 alpha activity, GST-ATF-2 as substrate in the presence of 120 microM ATP


Bioorg Med Chem Lett 12: 2109-12 (2002)


BindingDB Entry DOI: 10.7270/Q2610ZNX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50116028
PNG
(3,5-Difluoro-4-[4-(4-fluoro-phenyl)-5-pyridin-4-yl...)
Show SMILES Nc1nc(N)c(F)c(-c2nc(c(s2)-c2ccncc2)-c2ccc(F)cc2)c1F
Show InChI InChI=1S/C19H12F3N5S/c20-11-3-1-9(2-4-11)15-16(10-5-7-25-8-6-10)28-19(26-15)12-13(21)17(23)27-18(24)14(12)22/h1-8H,(H4,23,24,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vivo inhibition of ram seminal vesicle Prostaglandin G/H synthase 1 activity by determining PGE-2 by RIA


Bioorg Med Chem Lett 12: 2109-12 (2002)


BindingDB Entry DOI: 10.7270/Q2610ZNX
More data for this
Ligand-Target Pair