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SMILES: CN(CCc1ccccc1)C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CCN(CC3)C(=O)c3ccccc3)cc2)cc1

InChI Key: InChIKey=NXSBYCJFGXRRHJ-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 87529   
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))		BDBM87529
PNG
(1-benzoyl-N-[4-[2-[4-[[methyl(2-phenylethyl)amino]...)
Show SMILES CN(CCc1ccccc1)C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CCN(CC3)C(=O)c3ccccc3)cc2)cc1
Show InChI InChI=1S/C37H38N4O4/c1-40(23-20-27-8-4-2-5-9-27)36(44)31-14-18-32(19-15-31)38-34(42)26-28-12-16-33(17-13-28)39-35(43)29-21-24-41(25-22-29)37(45)30-10-6-3-7-11-30/h2-19,29H,20-26H2,1H3,(H,38,42)(H,39,43)
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PCBioAssay
n/an/a 3.91E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2RB736G
More data for this
Ligand-Target Pair