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BDBM14860 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2-pyridin-3-yl-ethoxy)-naphthalen-1-yl]-urea::3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-{4-[2-(pyridin-3-yl)ethoxy]naphthalen-1-yl}urea::BIRB-796 Analog 48

SMILES: Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCc2cccnc2)c2ccccc12)C(C)(C)C

InChI Key: InChIKey=PQRNFUISVXRWPF-UHFFFAOYSA-N

Data: 3 IC50  1 Kd

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 14860   
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
MAP kinase p38


(Mus musculus (mouse))
BDBM14860
PNG
(1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCc2cccnc2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H33N5O2/c1-22-11-13-24(14-12-22)37-30(20-29(36-37)32(2,3)4)35-31(38)34-27-15-16-28(26-10-6-5-9-25(26)27)39-19-17-23-8-7-18-33-21-23/h5-16,18,20-21H,17,19H2,1-4H3,(H2,34,35,38)
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n/an/an/a 0.520n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc



Assay Description
UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...


J Med Chem 46: 4676-86 (2003)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q24F1P00
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM14860
PNG
(1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCc2cccnc2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H33N5O2/c1-22-11-13-24(14-12-22)37-30(20-29(36-37)32(2,3)4)35-31(38)34-27-15-16-28(26-10-6-5-9-25(26)27)39-19-17-23-8-7-18-33-21-23/h5-16,18,20-21H,17,19H2,1-4H3,(H2,34,35,38)
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n/an/a 12n/an/an/an/an/an/a



Sygnature Discovery Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...


J Med Chem 59: 1727-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01029
BindingDB Entry DOI: 10.7270/Q2319XRB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM14860
PNG
(1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCc2cccnc2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H33N5O2/c1-22-11-13-24(14-12-22)37-30(20-29(36-37)32(2,3)4)35-31(38)34-27-15-16-28(26-10-6-5-9-25(26)27)39-19-17-23-8-7-18-33-21-23/h5-16,18,20-21H,17,19H2,1-4H3,(H2,34,35,38)
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n/an/a>1.90E+4n/an/an/an/an/an/a



Sygnature Discovery Limited

Curated by ChEMBL


Assay Description
Inhibition of HCK (unknown origin) preincubated for 2 hrs followed by FRET peptide addition measured after 1 hr by Z-LYTE assay


J Med Chem 59: 1727-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01029
BindingDB Entry DOI: 10.7270/Q2319XRB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM14860
PNG
(1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCc2cccnc2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H33N5O2/c1-22-11-13-24(14-12-22)37-30(20-29(36-37)32(2,3)4)35-31(38)34-27-15-16-28(26-10-6-5-9-25(26)27)39-19-17-23-8-7-18-33-21-23/h5-16,18,20-21H,17,19H2,1-4H3,(H2,34,35,38)
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n/an/a 616n/an/an/an/an/an/a



Sygnature Discovery Limited

Curated by ChEMBL


Assay Description
Inhibitory concentration required for in vitro binding affinity to cholinergic central Nicotinic acetylcholine receptor on rat brain cortex by using ...


J Med Chem 59: 1727-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01029
BindingDB Entry DOI: 10.7270/Q2319XRB
More data for this
Ligand-Target Pair