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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 = 'BDBM50354489'   
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))
BDBM50354489
PNG
(CHEMBL1836680)
Show SMILES CSc1nc(Nc2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1
Show InChI InChI=1S/C21H20BrN5S/c1-14(15-7-4-3-5-8-15)13-27-20-18(12-23-27)19(25-21(26-20)28-2)24-17-10-6-9-16(22)11-17/h3-12,14H,13H2,1-2H3,(H,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
18n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition human recombinant cSRC using KVEKIGEGTYGVVYK peptide substrate in presence of [gamma-32P]-ATP


Bioorg Med Chem Lett 21: 5928-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.079
BindingDB Entry DOI: 10.7270/Q29G5N6P
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50354489
PNG
(CHEMBL1836680)
Show SMILES CSc1nc(Nc2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1
Show InChI InChI=1S/C21H20BrN5S/c1-14(15-7-4-3-5-8-15)13-27-20-18(12-23-27)19(25-21(26-20)28-2)24-17-10-6-9-16(22)11-17/h3-12,14H,13H2,1-2H3,(H,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL




J Med Chem 60: 6305-6320 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00637
BindingDB Entry DOI: 10.7270/Q2HT2RMG
More data for this
Ligand-Target Pair