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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 = 'BDBM4618'   
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))
BDBM4618
PNG
(1,6-naphthyridine 14 | 1,6-naphthyridine deriv. 20...)
Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCN3CCOCC3)cc2nc1NC(=O)NC(C)(C)C
Show InChI InChI=1S/C28H38N6O4/c1-28(2,3)33-27(35)32-26-23(19-13-21(36-4)16-22(14-19)37-5)15-20-18-30-25(17-24(20)31-26)29-7-6-8-34-9-11-38-12-10-34/h13-18H,6-12H2,1-5H3,(H,29,30)(H2,31,32,33,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/a7.425



University of Auckland



Assay Description
Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4618
PNG
(1,6-naphthyridine 14 | 1,6-naphthyridine deriv. 20...)
Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCN3CCOCC3)cc2nc1NC(=O)NC(C)(C)C
Show InChI InChI=1S/C28H38N6O4/c1-28(2,3)33-27(35)32-26-23(19-13-21(36-4)16-22(14-19)37-5)15-20-18-30-25(17-24(20)31-26)29-7-6-8-34-9-11-38-12-10-34/h13-18H,6-12H2,1-5H3,(H,29,30)(H2,31,32,33,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Auckland



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 43: 4200-11 (2000)


Article DOI: 10.1021/jm000161d
BindingDB Entry DOI: 10.7270/Q2JW8C3G
More data for this
Ligand-Target Pair