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BDBM50193894 7-(2,6-dimethylphenyl)-5-methyl-N-(3-(4-methylpiperazin-1-ylsulfonyl)phenyl)benzo[e][1,2,4]triazin-3-amine::CHEMBL436516::US8481536, 408

SMILES: CN1CCN(CC1)S(=O)(=O)c1cccc(Nc2nnc3cc(cc(C)c3n2)-c2c(C)cccc2C)c1

InChI Key: InChIKey=CLYYVIUHRKFXFH-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50193894   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50193894
PNG
(7-(2,6-dimethylphenyl)-5-methyl-N-(3-(4-methylpipe...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(Nc2nnc3cc(cc(C)c3n2)-c2c(C)cccc2C)c1
Show InChI InChI=1S/C27H30N6O2S/c1-18-7-5-8-19(2)25(18)21-15-20(3)26-24(16-21)30-31-27(29-26)28-22-9-6-10-23(17-22)36(34,35)33-13-11-32(4)12-14-33/h5-10,15-17H,11-14H2,1-4H3,(H,28,29,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 320n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src kinase


Bioorg Med Chem Lett 16: 5546-50 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.035
BindingDB Entry DOI: 10.7270/Q2SN08MP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50193894
PNG
(7-(2,6-dimethylphenyl)-5-methyl-N-(3-(4-methylpipe...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(Nc2nnc3cc(cc(C)c3n2)-c2c(C)cccc2C)c1
Show InChI InChI=1S/C27H30N6O2S/c1-18-7-5-8-19(2)25(18)21-15-20(3)26-24(16-21)30-31-27(29-26)28-22-9-6-10-23(17-22)36(34,35)33-13-11-32(4)12-14-33/h5-10,15-17H,11-14H2,1-4H3,(H,28,29,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 322n/an/an/an/an/a25



TargeGen, Inc.

US Patent


Assay Description
Testing of inhibition of kinases in vitro using luciferase-based assay from KinaseGlo, Promega Corp.


US Patent US8481536 (2013)


BindingDB Entry DOI: 10.7270/Q2GB22PZ
More data for this
Ligand-Target Pair