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BDBM87468 MLS000879146::N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxy-2-naphthalenecarboxamide;hydrochloride::N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxy-2-naphthamide;hydrochloride::N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxy-naphthalene-2-carboxamide;hydrochloride::N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide;hydrochloride::SMR000641409::cid_24761837

SMILES: CCOc1ccc2nc(sc2c1)N(CCN(C)C)C(=O)c1cc2ccccc2cc1OC

InChI Key: InChIKey=QCHSXYPZOVJIMV-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 87468   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM87468
PNG
(MLS000879146 | N-[2-(dimethylamino)ethyl]-N-(6-eth...)
Show SMILES CCOc1ccc2nc(sc2c1)N(CCN(C)C)C(=O)c1cc2ccccc2cc1OC
Show InChI InChI=1S/C25H27N3O3S/c1-5-31-19-10-11-21-23(16-19)32-25(26-21)28(13-12-27(2)3)24(29)20-14-17-8-6-7-9-18(17)15-22(20)30-4/h6-11,14-16H,5,12-13H2,1-4H3
PDB
MMDB

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Similars

PCBioAssay
n/an/a 5.20E+4n/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