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SMILES: O[C@H]1CCC[C@@H]1N1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1

InChI Key: InChIKey=UFZFALKWYRNPQE-PMACEKPBSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50315120   
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))
BDBM50315120
PNG
((1S,2S)-2-(4-(3-(4-chlorophenyl)-4-(pyrimidin-4-yl...)
Show SMILES O[C@H]1CCC[C@@H]1N1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H26ClN5O/c24-17-6-4-15(5-7-17)22-21(18-8-11-25-14-26-18)23(28-27-22)16-9-12-29(13-10-16)19-2-1-3-20(19)30/h4-8,11,14,16,19-20,30H,1-3,9-10,12-13H2,(H,27,28)/t19-,20-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.38E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38beta assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315120
PNG
((1S,2S)-2-(4-(3-(4-chlorophenyl)-4-(pyrimidin-4-yl...)
Show SMILES O[C@H]1CCC[C@@H]1N1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H26ClN5O/c24-17-6-4-15(5-7-17)22-21(18-8-11-25-14-26-18)23(28-27-22)16-9-12-29(13-10-16)19-2-1-3-20(19)30/h4-8,11,14,16,19-20,30H,1-3,9-10,12-13H2,(H,27,28)/t19-,20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair