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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50145570'   
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))
BDBM50145570
PNG
(1H-Indole-2-carboxylic acid (4-{4-amino-1-[4-(4-me...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |wU:23.25,wD:26.32,(1.45,-1.92,;1.52,-3.48,;2.9,-4.2,;2.97,-5.74,;4.32,-6.46,;5.63,-5.64,;5.57,-4.09,;4.21,-3.37,;4.2,-1.83,;5.51,-1.03,;6.86,-1.8,;5.49,.51,;6.63,1.55,;5.98,2.93,;6.61,4.35,;5.7,5.59,;4.18,5.43,;3.55,4.03,;4.46,2.77,;4.16,1.25,;4.39,-8,;5.62,-8.89,;5.14,-10.36,;6.09,-11.55,;7.63,-11.32,;8.58,-12.52,;8.02,-13.95,;6.49,-14.19,;5.53,-12.99,;8.99,-15.14,;10.5,-14.91,;11.47,-16.1,;10.91,-17.54,;11.88,-18.76,;9.38,-17.78,;8.43,-16.58,;3.61,-10.36,;2.57,-11.5,;1.08,-11.17,;.61,-9.71,;1.64,-8.57,;1.17,-7.1,;3.13,-8.89,)|
Show InChI InChI=1S/C32H37N9O2/c1-39-13-15-40(16-14-39)22-8-10-23(11-9-22)41-31-28(30(33)34-19-35-31)29(38-41)21-7-12-25(27(18-21)43-2)37-32(42)26-17-20-5-3-4-6-24(20)36-26/h3-7,12,17-19,22-23,36H,8-11,13-16H2,1-2H3,(H,37,42)(H2,33,34,35)/t22-,23-
PDB
MMDB

KEGG

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Article
PubMed
n/an/a 56n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Src protein tryrosine kinase activity with 1 mM ATP and biotinylated lck peptide


Bioorg Med Chem Lett 14: 2613-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.101
BindingDB Entry DOI: 10.7270/Q2M61JQP
More data for this
Ligand-Target Pair