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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase SRC' and Monomerid = 50224374   
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))
BDBM50224374
PNG
(CHEMBL241749 | N-benzyl-1-(2-chloro-2-(4-chlorophe...)
Show SMILES CSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccc(Cl)cc3)c2n1
Show InChI InChI=1S/C21H19Cl2N5S/c1-29-21-26-19(24-11-14-5-3-2-4-6-14)17-12-25-28(20(17)27-21)13-18(23)15-7-9-16(22)10-8-15/h2-10,12,18H,11,13H2,1H3,(H,24,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src


Eur J Med Chem 44: 3712-7 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.039
BindingDB Entry DOI: 10.7270/Q2SF2W6F
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50224374
PNG
(CHEMBL241749 | N-benzyl-1-(2-chloro-2-(4-chlorophe...)
Show SMILES CSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccc(Cl)cc3)c2n1
Show InChI InChI=1S/C21H19Cl2N5S/c1-29-21-26-19(24-11-14-5-3-2-4-6-14)17-12-25-28(20(17)27-21)13-18(23)15-7-9-16(22)10-8-15/h2-10,12,18H,11,13H2,1H3,(H,24,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src


J Med Chem 50: 5579-88 (2007)


Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW
More data for this
Ligand-Target Pair