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SMILES: CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1nc(ncc1Br)N1CCOCC1

InChI Key: InChIKey=LQGLAHQQQCWHMB-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50190692   
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
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50190692
PNG
(CHEMBL3953140)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1nc(ncc1Br)N1CCOCC1
Show InChI InChI=1S/C22H30BrN5O3S/c1-22(2,3)17-4-6-18(7-5-17)32(29,30)28-10-8-26(9-11-28)20-19(23)16-24-21(25-20)27-12-14-31-15-13-27/h4-7,16H,8-15H2,1-3H3
PDB
MMDB

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.15E+3n/an/an/an/an/an/a



Rallis India Limited

Curated by ChEMBL


Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay

Eur J Med Chem 119: 70-82 (2016)


BindingDB Entry DOI: 10.7270/Q2445PDS
More data for this
Ligand-Target Pair