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SMILES: FC(F)(F)Oc1ccc(NC(=O)c2cccc(c2)-c2ccc(CN3CCCC3)s2)cc1

InChI Key: InChIKey=JBKGFRYVPNELRZ-UHFFFAOYSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 222471   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Tyrosine-protein kinase ABL1 [64-515]


(Homo sapiens (Human))		BDBM222471
PNG
(US9315489, 7)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cccc(c2)-c2ccc(CN3CCCC3)s2)cc1
Show InChI InChI=1S/C23H21F3N2O2S/c24-23(25,26)30-19-8-6-18(7-9-19)27-22(29)17-5-3-4-16(14-17)21-11-10-20(31-21)15-28-12-1-2-13-28/h3-11,14H,1-2,12-13,15H2,(H,27,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<3n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...

US Patent US9315489 (2016)


BindingDB Entry DOI: 10.7270/Q2H130WD
More data for this
Ligand-Target Pair