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BDBM50296636 4-chloro-N-cyclopropyl-3-(1-(4-fluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-ylamino)benzamide::CHEMBL561932

SMILES: Cn1c2n(ncc2c(Nc2cc(ccc2Cl)C(=O)NC2CC2)cc1=O)-c1ccc(F)cc1

InChI Key: InChIKey=VPYHMFOFGLWNPN-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 50296636   
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 13 (MAPK13)


(Homo sapiens (Human))
BDBM50296636
PNG
(4-chloro-N-cyclopropyl-3-(1-(4-fluorophenyl)-7-met...)
Show SMILES Cn1c2n(ncc2c(Nc2cc(ccc2Cl)C(=O)NC2CC2)cc1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C23H19ClFN5O2/c1-29-21(31)11-19(17-12-26-30(23(17)29)16-7-3-14(25)4-8-16)28-20-10-13(2-9-18(20)24)22(32)27-15-5-6-15/h2-4,7-12,15,28H,5-6H2,1H3,(H,27,32)
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n/an/a 4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of p38delta


Bioorg Med Chem Lett 19: 4724-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.058
BindingDB Entry DOI: 10.7270/Q27S7NT0
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))
BDBM50296636
PNG
(4-chloro-N-cyclopropyl-3-(1-(4-fluorophenyl)-7-met...)
Show SMILES Cn1c2n(ncc2c(Nc2cc(ccc2Cl)C(=O)NC2CC2)cc1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C23H19ClFN5O2/c1-29-21(31)11-19(17-12-26-30(23(17)29)16-7-3-14(25)4-8-16)28-20-10-13(2-9-18(20)24)22(32)27-15-5-6-15/h2-4,7-12,15,28H,5-6H2,1H3,(H,27,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of p38beta


Bioorg Med Chem Lett 19: 4724-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.058
BindingDB Entry DOI: 10.7270/Q27S7NT0
More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM50296636
PNG
(4-chloro-N-cyclopropyl-3-(1-(4-fluorophenyl)-7-met...)
Show SMILES Cn1c2n(ncc2c(Nc2cc(ccc2Cl)C(=O)NC2CC2)cc1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C23H19ClFN5O2/c1-29-21(31)11-19(17-12-26-30(23(17)29)16-7-3-14(25)4-8-16)28-20-10-13(2-9-18(20)24)22(32)27-15-5-6-15/h2-4,7-12,15,28H,5-6H2,1H3,(H,27,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of p38gamma


Bioorg Med Chem Lett 19: 4724-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.058
BindingDB Entry DOI: 10.7270/Q27S7NT0
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50296636
PNG
(4-chloro-N-cyclopropyl-3-(1-(4-fluorophenyl)-7-met...)
Show SMILES Cn1c2n(ncc2c(Nc2cc(ccc2Cl)C(=O)NC2CC2)cc1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C23H19ClFN5O2/c1-29-21(31)11-19(17-12-26-30(23(17)29)16-7-3-14(25)4-8-16)28-20-10-13(2-9-18(20)24)22(32)27-15-5-6-15/h2-4,7-12,15,28H,5-6H2,1H3,(H,27,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 4724-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.058
BindingDB Entry DOI: 10.7270/Q27S7NT0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50296636
PNG
(4-chloro-N-cyclopropyl-3-(1-(4-fluorophenyl)-7-met...)
Show SMILES Cn1c2n(ncc2c(Nc2cc(ccc2Cl)C(=O)NC2CC2)cc1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C23H19ClFN5O2/c1-29-21(31)11-19(17-12-26-30(23(17)29)16-7-3-14(25)4-8-16)28-20-10-13(2-9-18(20)24)22(32)27-15-5-6-15/h2-4,7-12,15,28H,5-6H2,1H3,(H,27,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 19: 4724-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.058
BindingDB Entry DOI: 10.7270/Q27S7NT0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50296636
PNG
(4-chloro-N-cyclopropyl-3-(1-(4-fluorophenyl)-7-met...)
Show SMILES Cn1c2n(ncc2c(Nc2cc(ccc2Cl)C(=O)NC2CC2)cc1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C23H19ClFN5O2/c1-29-21(31)11-19(17-12-26-30(23(17)29)16-7-3-14(25)4-8-16)28-20-10-13(2-9-18(20)24)22(32)27-15-5-6-15/h2-4,7-12,15,28H,5-6H2,1H3,(H,27,32)
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n/an/a 1.5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha assessed as phosphorylation of ATF2 by scintillation proximity assay


Bioorg Med Chem Lett 19: 4724-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.058
BindingDB Entry DOI: 10.7270/Q27S7NT0
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50296636
PNG
(4-chloro-N-cyclopropyl-3-(1-(4-fluorophenyl)-7-met...)
Show SMILES Cn1c2n(ncc2c(Nc2cc(ccc2Cl)C(=O)NC2CC2)cc1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C23H19ClFN5O2/c1-29-21(31)11-19(17-12-26-30(23(17)29)16-7-3-14(25)4-8-16)28-20-10-13(2-9-18(20)24)22(32)27-15-5-6-15/h2-4,7-12,15,28H,5-6H2,1H3,(H,27,32)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 19: 4724-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.058
BindingDB Entry DOI: 10.7270/Q27S7NT0
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50296636
PNG
(4-chloro-N-cyclopropyl-3-(1-(4-fluorophenyl)-7-met...)
Show SMILES Cn1c2n(ncc2c(Nc2cc(ccc2Cl)C(=O)NC2CC2)cc1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C23H19ClFN5O2/c1-29-21(31)11-19(17-12-26-30(23(17)29)16-7-3-14(25)4-8-16)28-20-10-13(2-9-18(20)24)22(32)27-15-5-6-15/h2-4,7-12,15,28H,5-6H2,1H3,(H,27,32)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 19: 4724-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.058
BindingDB Entry DOI: 10.7270/Q27S7NT0
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50296636
PNG
(4-chloro-N-cyclopropyl-3-(1-(4-fluorophenyl)-7-met...)
Show SMILES Cn1c2n(ncc2c(Nc2cc(ccc2Cl)C(=O)NC2CC2)cc1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C23H19ClFN5O2/c1-29-21(31)11-19(17-12-26-30(23(17)29)16-7-3-14(25)4-8-16)28-20-10-13(2-9-18(20)24)22(32)27-15-5-6-15/h2-4,7-12,15,28H,5-6H2,1H3,(H,27,32)
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n/an/a>2.10E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 19: 4724-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.058
BindingDB Entry DOI: 10.7270/Q27S7NT0
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50296636
PNG
(4-chloro-N-cyclopropyl-3-(1-(4-fluorophenyl)-7-met...)
Show SMILES Cn1c2n(ncc2c(Nc2cc(ccc2Cl)C(=O)NC2CC2)cc1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C23H19ClFN5O2/c1-29-21(31)11-19(17-12-26-30(23(17)29)16-7-3-14(25)4-8-16)28-20-10-13(2-9-18(20)24)22(32)27-15-5-6-15/h2-4,7-12,15,28H,5-6H2,1H3,(H,27,32)
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n/an/a>2.10E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 19: 4724-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.058
BindingDB Entry DOI: 10.7270/Q27S7NT0
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50296636
PNG
(4-chloro-N-cyclopropyl-3-(1-(4-fluorophenyl)-7-met...)
Show SMILES Cn1c2n(ncc2c(Nc2cc(ccc2Cl)C(=O)NC2CC2)cc1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C23H19ClFN5O2/c1-29-21(31)11-19(17-12-26-30(23(17)29)16-7-3-14(25)4-8-16)28-20-10-13(2-9-18(20)24)22(32)27-15-5-6-15/h2-4,7-12,15,28H,5-6H2,1H3,(H,27,32)
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n/an/a>2.10E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 19: 4724-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.058
BindingDB Entry DOI: 10.7270/Q27S7NT0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50296636
PNG
(4-chloro-N-cyclopropyl-3-(1-(4-fluorophenyl)-7-met...)
Show SMILES Cn1c2n(ncc2c(Nc2cc(ccc2Cl)C(=O)NC2CC2)cc1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C23H19ClFN5O2/c1-29-21(31)11-19(17-12-26-30(23(17)29)16-7-3-14(25)4-8-16)28-20-10-13(2-9-18(20)24)22(32)27-15-5-6-15/h2-4,7-12,15,28H,5-6H2,1H3,(H,27,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 19: 4724-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.058
BindingDB Entry DOI: 10.7270/Q27S7NT0
More data for this
Ligand-Target Pair