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SMILES: COc1ccc(cc1-c1ccncc1)C(=O)Nc1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=QHTUYSXAOJVRDJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 222497   
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))		BDBM222497
PNG
(US9315489, 33)
Show SMILES COc1ccc(cc1-c1ccncc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H15F3N2O3/c1-27-18-7-2-14(12-17(18)13-8-10-24-11-9-13)19(26)25-15-3-5-16(6-4-15)28-20(21,22)23/h2-12H,1H3,(H,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.70n/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