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BDBM50328755 2-(3-(3-tert-butyl-5-(3-(2,3-dichlorophenyl)ureido)-1H-pyrazol-1-yl)phenyl)acetamide::CHEMBL1271376

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

InChI Key: InChIKey=ZJQYVSTVRXOFQL-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50328755   
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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50328755
PNG
(2-(3-(3-tert-butyl-5-(3-(2,3-dichlorophenyl)ureido...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1cccc(CC(N)=O)c1
Show InChI InChI=1S/C22H23Cl2N5O2/c1-22(2,3)17-12-19(27-21(31)26-16-9-5-8-15(23)20(16)24)29(28-17)14-7-4-6-13(10-14)11-18(25)30/h4-10,12H,11H2,1-3H3,(H2,25,30)(H2,26,27,31)
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n/an/a 11n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of CRAF


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50328755
PNG
(2-(3-(3-tert-butyl-5-(3-(2,3-dichlorophenyl)ureido...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1cccc(CC(N)=O)c1
Show InChI InChI=1S/C22H23Cl2N5O2/c1-22(2,3)17-12-19(27-21(31)26-16-9-5-8-15(23)20(16)24)29(28-17)14-7-4-6-13(10-14)11-18(25)30/h4-10,12H,11H2,1-3H3,(H2,25,30)(H2,26,27,31)
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n/an/a 9n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Binding affinity to unphosphorylated p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Ephrin type-B receptor 2


(Homo sapiens (Human))
BDBM50328755
PNG
(2-(3-(3-tert-butyl-5-(3-(2,3-dichlorophenyl)ureido...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1cccc(CC(N)=O)c1
Show InChI InChI=1S/C22H23Cl2N5O2/c1-22(2,3)17-12-19(27-21(31)26-16-9-5-8-15(23)20(16)24)29(28-17)14-7-4-6-13(10-14)11-18(25)30/h4-10,12H,11H2,1-3H3,(H2,25,30)(H2,26,27,31)
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n/an/a 82n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of EPHB2


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50328755
PNG
(2-(3-(3-tert-butyl-5-(3-(2,3-dichlorophenyl)ureido...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1cccc(CC(N)=O)c1
Show InChI InChI=1S/C22H23Cl2N5O2/c1-22(2,3)17-12-19(27-21(31)26-16-9-5-8-15(23)20(16)24)29(28-17)14-7-4-6-13(10-14)11-18(25)30/h4-10,12H,11H2,1-3H3,(H2,25,30)(H2,26,27,31)
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n/an/a 17n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of BRAF


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50328755
PNG
(2-(3-(3-tert-butyl-5-(3-(2,3-dichlorophenyl)ureido...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1cccc(CC(N)=O)c1
Show InChI InChI=1S/C22H23Cl2N5O2/c1-22(2,3)17-12-19(27-21(31)26-16-9-5-8-15(23)20(16)24)29(28-17)14-7-4-6-13(10-14)11-18(25)30/h4-10,12H,11H2,1-3H3,(H2,25,30)(H2,26,27,31)
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MMDB
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Binding affinity to phosphorylated p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair