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BDBM50418603 CHEMBL1784169

SMILES: Cc1nc(CNC(=O)c2ccc(cc2)-c2cc(cc(F)c2C)C(=O)NC2CC2)cs1

InChI Key: InChIKey=WNLNIJQBMRFLAJ-UHFFFAOYSA-N

Data: 1 KI  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 3 hits for monomerid = 50418603   
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))
BDBM50418603
PNG
(CHEMBL1784169)
Show SMILES Cc1nc(CNC(=O)c2ccc(cc2)-c2cc(cc(F)c2C)C(=O)NC2CC2)cs1
Show InChI InChI=1S/C23H22FN3O2S/c1-13-20(9-17(10-21(13)24)23(29)27-18-7-8-18)15-3-5-16(6-4-15)22(28)25-11-19-12-30-14(2)26-19/h3-6,9-10,12,18H,7-8,11H2,1-2H3,(H,25,28)(H,27,29)
PDB
MMDB

NCI pathway
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KEGG

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged p38alpha by fluorescence polarization method


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418603
PNG
(CHEMBL1784169)
Show SMILES Cc1nc(CNC(=O)c2ccc(cc2)-c2cc(cc(F)c2C)C(=O)NC2CC2)cs1
Show InChI InChI=1S/C23H22FN3O2S/c1-13-20(9-17(10-21(13)24)23(29)27-18-7-8-18)15-3-5-16(6-4-15)22(28)25-11-19-12-30-14(2)26-19/h3-6,9-10,12,18H,7-8,11H2,1-2H3,(H,25,28)(H,27,29)
PDB
MMDB

NCI pathway
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 79.4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of p38alpha-dependent TNFalpha production in human whole blood preincubated for 1 hr before LPS challenge by ELISA


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50418603
PNG
(CHEMBL1784169)
Show SMILES Cc1nc(CNC(=O)c2ccc(cc2)-c2cc(cc(F)c2C)C(=O)NC2CC2)cs1
Show InChI InChI=1S/C23H22FN3O2S/c1-13-20(9-17(10-21(13)24)23(29)27-18-7-8-18)15-3-5-16(6-4-15)22(28)25-11-19-12-30-14(2)26-19/h3-6,9-10,12,18H,7-8,11H2,1-2H3,(H,25,28)(H,27,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9 expressed in Escherichia coli by fluorimetric assay


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair