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BDBM50436582 CHEMBL2397804

SMILES: ClC(Cn1ncc2c(NCc3cccc(Cl)c3)ncnc12)c1ccc(Br)cc1

InChI Key: InChIKey=QNKRFRCYRMDLLE-UHFFFAOYSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50436582   
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))
BDBM50436582
PNG
(CHEMBL2397804)
Show SMILES ClC(Cn1ncc2c(NCc3cccc(Cl)c3)ncnc12)c1ccc(Br)cc1
Show InChI InChI=1S/C20H16BrCl2N5/c21-15-6-4-14(5-7-15)18(23)11-28-20-17(10-27-28)19(25-12-26-20)24-9-13-2-1-3-16(22)8-13/h1-8,10,12,18H,9,11H2,(H,24,25,26)
PDB
MMDB

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21n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to recombinant wild type human Abl using abitide as substrate


J Med Chem 56: 5382-94 (2014)


Article DOI: 10.1021/jm400233w
BindingDB Entry DOI: 10.7270/Q29G5P63
More data for this
Ligand-Target Pair