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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 = 'BDBM50317244'   
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))
BDBM50317244
PNG
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-6-methox...)
Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\CCN4CCCCC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C27H28Cl2N4O2/c1-34-25-13-20-23(12-18(25)8-4-7-11-33-9-5-3-6-10-33)31-17-19(16-30)27(20)32-24-15-26(35-2)22(29)14-21(24)28/h4,8,12-15,17H,3,5-7,9-11H2,1-2H3,(H,31,32)/b8-4+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src after 70 mins by FRET assay


Bioorg Med Chem Lett 20: 2924-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50317244
PNG
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-6-methox...)
Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\CCN4CCCCC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C27H28Cl2N4O2/c1-34-25-13-20-23(12-18(25)8-4-7-11-33-9-5-3-6-10-33)31-17-19(16-30)27(20)32-24-15-26(35-2)22(29)14-21(24)28/h4,8,12-15,17H,3,5-7,9-11H2,1-2H3,(H,31,32)/b8-4+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 78n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Src-mediated cell proliferation in rat Rat-2 fibroblasts after 4 days by MTS assay


Bioorg Med Chem Lett 20: 2924-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1
More data for this
Ligand-Target Pair