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BDBM50323915 CHEMBL1213922::N-methyl-4-(4-(4-((4-methylpiperazin-1-yl)methyl)benzamido)phenoxy)picolinamide

SMILES: CNC(=O)c1cc(Oc2ccc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)cc2)ccn1

InChI Key: InChIKey=VQIBSZYZJIEVJB-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50323915   
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
Tyrosine-protein kinase ABL1


(Mus musculus)
BDBM50323915
PNG
(CHEMBL1213922 | N-methyl-4-(4-(4-((4-methylpiperaz...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)cc2)ccn1
Show InChI InChI=1S/C26H29N5O3/c1-27-26(33)24-17-23(11-12-28-24)34-22-9-7-21(8-10-22)29-25(32)20-5-3-19(4-6-20)18-31-15-13-30(2)14-16-31/h3-12,17H,13-16,18H2,1-2H3,(H,27,33)(H,29,32)
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PC cid
PC sid
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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay


Bioorg Med Chem 18: 5738-48 (2010)


Article DOI: 10.1016/j.bmc.2010.05.063
BindingDB Entry DOI: 10.7270/Q2HQ403C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323915
PNG
(CHEMBL1213922 | N-methyl-4-(4-(4-((4-methylpiperaz...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)cc2)ccn1
Show InChI InChI=1S/C26H29N5O3/c1-27-26(33)24-17-23(11-12-28-24)34-22-9-7-21(8-10-22)29-25(32)20-5-3-19(4-6-20)18-31-15-13-30(2)14-16-31/h3-12,17H,13-16,18H2,1-2H3,(H,27,33)(H,29,32)
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n/an/a 1.00E+5n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length N-terminal GST-tagged p38alpha expressed in Escherichia coli by radiometric kinase assay


Bioorg Med Chem 18: 5738-48 (2010)


Article DOI: 10.1016/j.bmc.2010.05.063
BindingDB Entry DOI: 10.7270/Q2HQ403C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50323915
PNG
(CHEMBL1213922 | N-methyl-4-(4-(4-((4-methylpiperaz...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)cc2)ccn1
Show InChI InChI=1S/C26H29N5O3/c1-27-26(33)24-17-23(11-12-28-24)34-22-9-7-21(8-10-22)29-25(32)20-5-3-19(4-6-20)18-31-15-13-30(2)14-16-31/h3-12,17H,13-16,18H2,1-2H3,(H,27,33)(H,29,32)
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length GST-tagged B-Raf by radiometric kinase assay


Bioorg Med Chem 18: 5738-48 (2010)


Article DOI: 10.1016/j.bmc.2010.05.063
BindingDB Entry DOI: 10.7270/Q2HQ403C
More data for this
Ligand-Target Pair