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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 [1-530]' and Ligand = 'BDBM378900'   
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 [1-530]


(Homo sapiens (Human))		BDBM378900
PNG
(US10266537, Compound 16)
Show SMILES CC(C)n1nc(C#Cc2cc(NC(=O)c3ccc(CN4CCN(C)CC4)c(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
Show InChI InChI=1S/C31H33F3N8O/c1-19(2)42-29-27(28(35)36-18-37-29)26(39-42)10-8-21-15-24(9-5-20(21)3)38-30(43)22-6-7-23(25(16-22)31(32,33)34)17-41-13-11-40(4)12-14-41/h5-7,9,15-16,18-19H,11-14,17H2,1-4H3,(H,38,43)(H2,35,36,37)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 7n/an/an/an/an/an/a



Kalypsys, Inc.



Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...

Bioorg Med Chem Lett 17: 3562-9 (2007)


BindingDB Entry DOI: 10.7270/Q21C2065
More data for this
Ligand-Target Pair