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SMILES: CN(C)CCNC(=O)\C=C\c1ccc(\C=C2/Oc3ccccc3N(C)C2=O)s1

InChI Key: InChIKey=MNFIBODISIOKPO-OFTDCZQLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50247712   
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


(Homo sapiens (Human))		BDBM50247712
PNG
((E)-N-((2-Dimethylamino)ethyl)-3-(3-((Z)-4-methyl-...)
Show SMILES CN(C)CCNC(=O)\C=C\c1ccc(\C=C2/Oc3ccccc3N(C)C2=O)s1
Show InChI InChI=1S/C21H23N3O3S/c1-23(2)13-12-22-20(25)11-10-15-8-9-16(28-15)14-19-21(26)24(3)17-6-4-5-7-18(17)27-19/h4-11,14H,12-13H2,1-3H3,(H,22,25)/b11-10+,19-14-
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n/an/a 820n/an/an/an/an/an/a



Santen Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of ABL (unknown origin) expressed in baculovirus system by ELISA

Bioorg Med Chem 17: 699-708 (2009)


Article DOI: 10.1016/j.bmc.2008.11.060
BindingDB Entry DOI: 10.7270/Q27M07TN
More data for this
Ligand-Target Pair