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SMILES: OCCNCCOc1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=YOZVHPXVZXYZOH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 222514   
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))		BDBM222514
PNG
(US9315489, 50)
Show SMILES OCCNCCOc1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H20F3N5O4/c22-21(23,24)33-17-3-1-16(2-4-17)29-19(31)14-9-18(15-10-26-13-27-11-15)20(28-12-14)32-8-6-25-5-7-30/h1-4,9-13,25,30H,5-8H2,(H,29,31)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 4.20n/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