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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase SRC' and Monomerid = 50145411   
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))
BDBM50145411
PNG
(1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-propyl...)
Show SMILES CCCNc1nc(SC)nc2n(CC(Cl)c3ccccc3)ncc12
Show InChI InChI=1S/C17H20ClN5S/c1-3-9-19-15-13-10-20-23(16(13)22-17(21-15)24-2)11-14(18)12-7-5-4-6-8-12/h4-8,10,14H,3,9,11H2,1-2H3,(H,19,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
794n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50145411
PNG
(1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-propyl...)
Show SMILES CCCNc1nc(SC)nc2n(CC(Cl)c3ccccc3)ncc12
Show InChI InChI=1S/C17H20ClN5S/c1-3-9-19-15-13-10-20-23(16(13)22-17(21-15)24-2)11-14(18)12-7-5-4-6-8-12/h4-8,10,14H,3,9,11H2,1-2H3,(H,19,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
2.90E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibitory activity against Src in cell free assay


J Med Chem 49: 1549-61 (2006)


Article DOI: 10.1021/jm050603r
BindingDB Entry DOI: 10.7270/Q27H1J6N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50145411
PNG
(1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-propyl...)
Show SMILES CCCNc1nc(SC)nc2n(CC(Cl)c3ccccc3)ncc12
Show InChI InChI=1S/C17H20ClN5S/c1-3-9-19-15-13-10-20-23(16(13)22-17(21-15)24-2)11-14(18)12-7-5-4-6-8-12/h4-8,10,14H,3,9,11H2,1-2H3,(H,19,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
2.90E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-Src by filter-binding assay


Eur J Med Chem 43: 2665-76 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.034
BindingDB Entry DOI: 10.7270/Q23J3CS2
More data for this
Ligand-Target Pair