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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 = 'BDBM50187565'   
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))
BDBM50187565
PNG
(2-iodo-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzam...)
Show SMILES Ic1ccccc1C(=O)Nc1nnc(CCc2ccccc2)s1
Show InChI InChI=1S/C17H14IN3OS/c18-14-9-5-4-8-13(14)16(22)19-17-21-20-15(23-17)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant Src


J Med Chem 49: 3278-86 (2006)


Article DOI: 10.1021/jm060236z
BindingDB Entry DOI: 10.7270/Q2TH8M9R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50187565
PNG
(2-iodo-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzam...)
Show SMILES Ic1ccccc1C(=O)Nc1nnc(CCc2ccccc2)s1
Show InChI InChI=1S/C17H14IN3OS/c18-14-9-5-4-8-13(14)16(22)19-17-21-20-15(23-17)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Universit&aagrov; degli Studi di Siena

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1207-11 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.112
BindingDB Entry DOI: 10.7270/Q23R0RF2
More data for this
Ligand-Target Pair