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BDBM330260 1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(4-((2-((3-hydroxyphenyl)amino)pyrimidin-4-yl)oxy)naphthalen-1-yl)urea::US9724347, Example 2::US9724347, Example 9

SMILES: Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(O)cc3)n2)c2ccccc12)C(C)(C)C

InChI Key: InChIKey=VFDXVDLISMVQFY-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 330260   
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))
BDBM330260
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(O)cc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N7O3/c1-22-9-13-24(14-10-22)42-31(21-30(41-42)35(2,3)4)39-34(44)38-28-17-18-29(27-8-6-5-7-26(27)28)45-32-19-20-36-33(40-32)37-23-11-15-25(43)16-12-23/h5-21,43H,1-4H3,(H,36,37,40)(H2,38,39,44)
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PC cid
PC sid
UniChem
US Patent
n/an/a 164n/an/an/an/an/an/a



Respivert, Ltd.

US Patent


Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330260
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(O)cc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N7O3/c1-22-9-13-24(14-10-22)42-31(21-30(41-42)35(2,3)4)39-34(44)38-28-17-18-29(27-8-6-5-7-26(27)28)45-32-19-20-36-33(40-32)37-23-11-15-25(43)16-12-23/h5-21,43H,1-4H3,(H,36,37,40)(H2,38,39,44)
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PC cid
PC sid
UniChem
US Patent
n/an/a 557n/an/an/an/an/an/a



Respivert, Ltd.

US Patent


Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330260
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(O)cc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N7O3/c1-22-9-13-24(14-10-22)42-31(21-30(41-42)35(2,3)4)39-34(44)38-28-17-18-29(27-8-6-5-7-26(27)28)45-32-19-20-36-33(40-32)37-23-11-15-25(43)16-12-23/h5-21,43H,1-4H3,(H,36,37,40)(H2,38,39,44)
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US Patent
n/an/a 3.26E+3n/an/an/an/an/an/a



Respivert, Ltd.

US Patent


Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM330260
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(O)cc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N7O3/c1-22-9-13-24(14-10-22)42-31(21-30(41-42)35(2,3)4)39-34(44)38-28-17-18-29(27-8-6-5-7-26(27)28)45-32-19-20-36-33(40-32)37-23-11-15-25(43)16-12-23/h5-21,43H,1-4H3,(H,36,37,40)(H2,38,39,44)
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PC cid
PC sid
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US Patent
n/an/a 171n/an/an/an/an/an/a



Respivert, Ltd.

US Patent


Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330260
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(O)cc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N7O3/c1-22-9-13-24(14-10-22)42-31(21-30(41-42)35(2,3)4)39-34(44)38-28-17-18-29(27-8-6-5-7-26(27)28)45-32-19-20-36-33(40-32)37-23-11-15-25(43)16-12-23/h5-21,43H,1-4H3,(H,36,37,40)(H2,38,39,44)
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PC cid
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UniChem
US Patent
n/an/a 760n/an/an/an/an/an/a



Respivert, Ltd.

US Patent


Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330260
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(O)cc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N7O3/c1-22-9-13-24(14-10-22)42-31(21-30(41-42)35(2,3)4)39-34(44)38-28-17-18-29(27-8-6-5-7-26(27)28)45-32-19-20-36-33(40-32)37-23-11-15-25(43)16-12-23/h5-21,43H,1-4H3,(H,36,37,40)(H2,38,39,44)
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UniChem
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n/an/a>1.67E+3n/an/an/an/an/an/a



Respivert, Ltd.

US Patent


Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair