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BDBM50091935 1-[2-(3-Amino-phenyl)-5-tert-butyl-2H-pyrazol-3-yl]-3-(2,3-dichloro-phenyl)-urea::CHEMBL64040

SMILES: CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1cccc(N)c1

InChI Key: InChIKey=LDXAGTHPWDVZFU-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50091935   
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))
BDBM50091935
PNG
(1-[2-(3-Amino-phenyl)-5-tert-butyl-2H-pyrazol-3-yl...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1cccc(N)c1
Show InChI InChI=1S/C20H21Cl2N5O/c1-20(2,3)16-11-17(27(26-16)13-7-4-6-12(23)10-13)25-19(28)24-15-9-5-8-14(21)18(15)22/h4-11H,23H2,1-3H3,(H2,24,25,28)
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PC sid
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PubMed
n/an/a 13n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 10: 2051-4 (2000)


BindingDB Entry DOI: 10.7270/Q29K49GS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50091935
PNG
(1-[2-(3-Amino-phenyl)-5-tert-butyl-2H-pyrazol-3-yl...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1cccc(N)c1
Show InChI InChI=1S/C20H21Cl2N5O/c1-20(2,3)16-11-17(27(26-16)13-7-4-6-12(23)10-13)25-19(28)24-15-9-5-8-14(21)18(15)22/h4-11H,23H2,1-3H3,(H2,24,25,28)
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CHEMBL
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PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of Abl tyrosine kinase


Bioorg Med Chem Lett 10: 2051-4 (2000)


BindingDB Entry DOI: 10.7270/Q29K49GS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50091935
PNG
(1-[2-(3-Amino-phenyl)-5-tert-butyl-2H-pyrazol-3-yl...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1cccc(N)c1
Show InChI InChI=1S/C20H21Cl2N5O/c1-20(2,3)16-11-17(27(26-16)13-7-4-6-12(23)10-13)25-19(28)24-15-9-5-8-14(21)18(15)22/h4-11H,23H2,1-3H3,(H2,24,25,28)
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PubMed
n/an/a 850n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of c-Jun N-terminal kinase 1


Bioorg Med Chem Lett 10: 2051-4 (2000)


BindingDB Entry DOI: 10.7270/Q29K49GS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50091935
PNG
(1-[2-(3-Amino-phenyl)-5-tert-butyl-2H-pyrazol-3-yl...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1cccc(N)c1
Show InChI InChI=1S/C20H21Cl2N5O/c1-20(2,3)16-11-17(27(26-16)13-7-4-6-12(23)10-13)25-19(28)24-15-9-5-8-14(21)18(15)22/h4-11H,23H2,1-3H3,(H2,24,25,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 52n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase p38 beta


Bioorg Med Chem Lett 10: 2051-4 (2000)


BindingDB Entry DOI: 10.7270/Q29K49GS
More data for this
Ligand-Target Pair