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BDBM50099335 4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-2-(3-trifluoromethyl-phenoxy)-pyrimidine::CHEMBL275666

SMILES: Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2cccc(c2)C(F)(F)F)n1

InChI Key: InChIKey=INPGJMSTKSQOMI-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 = 50099335   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50099335
PNG
(4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazo...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2cccc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C25H21F4N5O/c26-18-6-4-16(5-7-18)22-23(34(15-32-22)19-8-11-30-12-9-19)21-10-13-31-24(33-21)35-20-3-1-2-17(14-20)25(27,28)29/h1-7,10,13-15,19,30H,8-9,11-12H2
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Article
PubMed
n/an/a 132n/an/an/an/an/an/a



University College of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Eur J Med Chem 43: 830-8 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.009
BindingDB Entry DOI: 10.7270/Q28052ZC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50099335
PNG
(4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazo...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2cccc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C25H21F4N5O/c26-18-6-4-16(5-7-18)22-23(34(15-32-22)19-8-11-30-12-9-19)21-10-13-31-24(33-21)35-20-3-1-2-17(14-20)25(27,28)29/h1-7,10,13-15,19,30H,8-9,11-12H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 132n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair