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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 = 'BDBM50097966'   
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))
BDBM50097966
PNG
(3-[4-Amino-5-(3-methoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES COc1cccc(c1)-c1cn(C2CCN(C2)C(=O)OC(C)(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C22H27N5O3/c1-22(2,3)30-21(28)26-9-8-15(11-26)27-12-17(14-6-5-7-16(10-14)29-4)18-19(23)24-13-25-20(18)27/h5-7,10,12-13,15H,8-9,11H2,1-4H3,(H2,23,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a 270n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL


Bioorg Med Chem Lett 11: 853-6 (2001)


BindingDB Entry DOI: 10.7270/Q29P30XJ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50097966
PNG
(3-[4-Amino-5-(3-methoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES COc1cccc(c1)-c1cn(C2CCN(C2)C(=O)OC(C)(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C22H27N5O3/c1-22(2,3)30-21(28)26-9-8-15(11-26)27-12-17(14-6-5-7-16(10-14)29-4)18-19(23)24-13-25-20(18)27/h5-7,10,12-13,15H,8-9,11H2,1-4H3,(H2,23,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Concentration required for inhibition of c-Src mediated phosphorylation of Fak in IC8.1 fibroblast cell assay


Bioorg Med Chem Lett 11: 853-6 (2001)


BindingDB Entry DOI: 10.7270/Q29P30XJ
More data for this
Ligand-Target Pair