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BDBM330276 1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-(4-((2-((4-chloro-2-methylphenyl)amino) pyrimidin-4-yl)oxy)naphthalen-1-yl)urea::US9724347, Example 18

SMILES: Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(Cl)cc3C)n2)c2ccccc12)C(C)(C)C

InChI Key: InChIKey=HAKVAEKWYIEPSR-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 330276   
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))
BDBM330276
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(Cl)cc3C)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C36H34ClN7O2/c1-22-10-13-25(14-11-22)44-32(21-31(43-44)36(3,4)5)41-35(45)40-29-16-17-30(27-9-7-6-8-26(27)29)46-33-18-19-38-34(42-33)39-28-15-12-24(37)20-23(28)2/h6-21H,1-5H3,(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 133n/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))
BDBM330276
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(Cl)cc3C)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C36H34ClN7O2/c1-22-10-13-25(14-11-22)44-32(21-31(43-44)36(3,4)5)41-35(45)40-29-16-17-30(27-9-7-6-8-26(27)29)46-33-18-19-38-34(42-33)39-28-15-12-24(37)20-23(28)2/h6-21H,1-5H3,(H,38,39,42)(H2,40,41,45)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a>1.58E+4n/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))
BDBM330276
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(Cl)cc3C)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C36H34ClN7O2/c1-22-10-13-25(14-11-22)44-32(21-31(43-44)36(3,4)5)41-35(45)40-29-16-17-30(27-9-7-6-8-26(27)29)46-33-18-19-38-34(42-33)39-28-15-12-24(37)20-23(28)2/h6-21H,1-5H3,(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>1.58E+4n/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