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BDBM330285 1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-(4-((2-((3,4-dimethoxyphenyl)amino) pyrimidin-4-yl)oxy)naphthalen-1-yl)urea::US9724347, Example 27

SMILES: COc1ccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc1OC

InChI Key: InChIKey=KNRZDHNOISHOGX-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 330285   
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))
BDBM330285
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES COc1ccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc1OC
Show InChI InChI=1S/C37H37N7O4/c1-23-11-14-25(15-12-23)44-33(22-32(43-44)37(2,3)4)41-36(45)40-28-16-18-29(27-10-8-7-9-26(27)28)48-34-19-20-38-35(42-34)39-24-13-17-30(46-5)31(21-24)47-6/h7-22H,1-6H3,(H,38,39,42)(H2,40,41,45)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 105n/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
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330285
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES COc1ccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc1OC
Show InChI InChI=1S/C37H37N7O4/c1-23-11-14-25(15-12-23)44-33(22-32(43-44)37(2,3)4)41-36(45)40-28-16-18-29(27-10-8-7-9-26(27)28)48-34-19-20-38-35(42-34)39-24-13-17-30(46-5)31(21-24)47-6/h7-22H,1-6H3,(H,38,39,42)(H2,40,41,45)
PDB
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PC cid
PC sid
UniChem
US Patent
n/an/a 2.11E+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 12


(Homo sapiens (Human))
BDBM330285
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES COc1ccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc1OC
Show InChI InChI=1S/C37H37N7O4/c1-23-11-14-25(15-12-23)44-33(22-32(43-44)37(2,3)4)41-36(45)40-28-16-18-29(27-10-8-7-9-26(27)28)48-34-19-20-38-35(42-34)39-24-13-17-30(46-5)31(21-24)47-6/h7-22H,1-6H3,(H,38,39,42)(H2,40,41,45)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 535n/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