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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50198817'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50198817
PNG
(4-(7-(2,6-dimethylphenyl)-5-methylbenzo[e][1,2,4]t...)
Show SMILES Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nnc2c1
Show InChI InChI=1S/C28H32N6O2S/c1-19-7-6-8-20(2)26(19)22-17-21(3)27-25(18-22)32-33-28(31-27)30-23-9-11-24(12-10-23)37(35,36)29-13-16-34-14-4-5-15-34/h6-12,17-18,29H,4-5,13-16H2,1-3H3,(H,30,31,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
BindingDB Entry DOI: 10.7270/Q29024MW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198817
PNG
(4-(7-(2,6-dimethylphenyl)-5-methylbenzo[e][1,2,4]t...)
Show SMILES Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nnc2c1
Show InChI InChI=1S/C28H32N6O2S/c1-19-7-6-8-20(2)26(19)22-17-21(3)27-25(18-22)32-33-28(31-27)30-23-9-11-24(12-10-23)37(35,36)29-13-16-34-14-4-5-15-34/h6-12,17-18,29H,4-5,13-16H2,1-3H3,(H,30,31,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

US Patent
n/an/a 9.10n/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