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BDBM50173168 4-[(S)-2-(4-Fluoro-phenyl)-5-(4-methoxy-benzyloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-pyrimidin-2-ylamine::CHEMBL372082

SMILES: COc1ccc(COC[C@@H]2CCc3nc(c(-c4ccnc(N)n4)n23)-c2ccc(F)cc2)cc1

InChI Key: InChIKey=BKLYUVKUMMLBIJ-IBGZPJMESA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50173168   
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))
BDBM50173168
PNG
(4-[(S)-2-(4-Fluoro-phenyl)-5-(4-methoxy-benzyloxym...)
Show SMILES COc1ccc(COC[C@@H]2CCc3nc(c(-c4ccnc(N)n4)n23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H24FN5O2/c1-32-20-9-2-16(3-10-20)14-33-15-19-8-11-22-30-23(17-4-6-18(26)7-5-17)24(31(19)22)21-12-13-28-25(27)29-21/h2-7,9-10,12-13,19H,8,11,14-15H2,1H3,(H2,27,28,29)/t19-/m0/s1
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Article
PubMed
n/an/a 295n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibitory activity against p38 at a concentration of 1.0 uM


Bioorg Med Chem Lett 15: 4666-70 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.076
BindingDB Entry DOI: 10.7270/Q28G8K8K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50173168
PNG
(4-[(S)-2-(4-Fluoro-phenyl)-5-(4-methoxy-benzyloxym...)
Show SMILES COc1ccc(COC[C@@H]2CCc3nc(c(-c4ccnc(N)n4)n23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H24FN5O2/c1-32-20-9-2-16(3-10-20)14-33-15-19-8-11-22-30-23(17-4-6-18(26)7-5-17)24(31(19)22)21-12-13-28-25(27)29-21/h2-7,9-10,12-13,19H,8,11,14-15H2,1H3,(H2,27,28,29)/t19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 61.2n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibitory activity against c-Jun N-terminal kinase 3 at a concentration of 1.0 uM


Bioorg Med Chem Lett 15: 4666-70 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.076
BindingDB Entry DOI: 10.7270/Q28G8K8K
More data for this
Ligand-Target Pair