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BDBM50303641 3-(2-(4-(3-Methyl-1H-1,2,4-triazol-1-yl)phenylamino)pyrimidin-4-yl)-5-morpholinobenzonitrile::CHEMBL570554

SMILES: Cc1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cc(cc(c2)N2CCOCC2)C#N)cc1

InChI Key: InChIKey=JKCOWGOVZGAWTE-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50303641   
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 10


(Homo sapiens (Human))
BDBM50303641
PNG
(3-(2-(4-(3-Methyl-1H-1,2,4-triazol-1-yl)phenylamin...)
Show SMILES Cc1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cc(cc(c2)N2CCOCC2)C#N)cc1
Show InChI InChI=1S/C24H22N8O/c1-17-27-16-32(30-17)21-4-2-20(3-5-21)28-24-26-7-6-23(29-24)19-12-18(15-25)13-22(14-19)31-8-10-33-11-9-31/h2-7,12-14,16H,8-11H2,1H3,(H,26,28,29)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 79n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50303641
PNG
(3-(2-(4-(3-Methyl-1H-1,2,4-triazol-1-yl)phenylamin...)
Show SMILES Cc1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cc(cc(c2)N2CCOCC2)C#N)cc1
Show InChI InChI=1S/C24H22N8O/c1-17-27-16-32(30-17)21-4-2-20(3-5-21)28-24-26-7-6-23(29-24)19-12-18(15-25)13-22(14-19)31-8-10-33-11-9-31/h2-7,12-14,16H,8-11H2,1H3,(H,26,28,29)
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 54n/an/an/an/an/an/a



and Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by time resolved fluorescence assay


J Med Chem 53: 419-31 (2010)


Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J
More data for this
Ligand-Target Pair