BindingDB logo
myBDB logout

BDBM330284 1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-(4-((2-((3-hydroxy-4-methylphenyl) amino)pyrimidin-4-yl)oxy)naphthalen-1- yl)urea::US9724347, Example 26

SMILES: Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(C)c(O)c3)n2)c2ccccc12)C(C)(C)C

InChI Key: InChIKey=HICTUWNTIGIPDG-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 330284   
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))
BDBM330284
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(C)c(O)c3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C36H35N7O3/c1-22-10-14-25(15-11-22)43-32(21-31(42-43)36(3,4)5)40-35(45)39-28-16-17-30(27-9-7-6-8-26(27)28)46-33-18-19-37-34(41-33)38-24-13-12-23(2)29(44)20-24/h6-21,44H,1-5H3,(H,37,38,41)(H2,39,40,45)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 549n/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))
BDBM330284
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(C)c(O)c3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C36H35N7O3/c1-22-10-14-25(15-11-22)43-32(21-31(42-43)36(3,4)5)40-35(45)39-28-16-17-30(27-9-7-6-8-26(27)28)46-33-18-19-37-34(41-33)38-24-13-12-23(2)29(44)20-24/h6-21,44H,1-5H3,(H,37,38,41)(H2,39,40,45)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.63E+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))
BDBM330284
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(C)c(O)c3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C36H35N7O3/c1-22-10-14-25(15-11-22)43-32(21-31(42-43)36(3,4)5)40-35(45)39-28-16-17-30(27-9-7-6-8-26(27)28)46-33-18-19-37-34(41-33)38-24-13-12-23(2)29(44)20-24/h6-21,44H,1-5H3,(H,37,38,41)(H2,39,40,45)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.63E+3n/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