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BDBM50050540 CHEMBL3182359

SMILES: COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2OC)c1

InChI Key: InChIKey=ZAOJSRORLWWOMF-UHFFFAOYSA-N

Data: 4 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50050540   
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
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM50050540
PNG
(CHEMBL3182359)
Show SMILES COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2OC)c1
Show InChI InChI=1S/C22H20N2O4/c1-27-19-12-5-3-10-17(19)21(25)23-15-8-7-9-16(14-15)24-22(26)18-11-4-6-13-20(18)28-2/h3-14H,1-2H3,(H,23,25)(H,24,26)
KEGG

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PubMed
n/an/a 10n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay


Bioorg Med Chem Lett 24: 3968-73 (2014)

More data for this
Ligand-Target Pair
Potassium channel subfamily K member 9


(Homo sapiens)
BDBM50050540
PNG
(CHEMBL3182359)
Show SMILES COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2OC)c1
Show InChI InChI=1S/C22H20N2O4/c1-27-19-12-5-3-10-17(19)21(25)23-15-8-7-9-16(14-15)24-22(26)18-11-4-6-13-20(18)28-2/h3-14H,1-2H3,(H,23,25)(H,24,26)
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KEGG

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Article
PubMed
n/an/a 1.88E+3n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-3 (unknown origin) expressed in CHO cells by thallium flux assay


Bioorg Med Chem Lett 24: 3968-73 (2014)

More data for this
Ligand-Target Pair
Potassium channel subfamily K member 9


(Homo sapiens)
BDBM50050540
PNG
(CHEMBL3182359)
Show SMILES COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2OC)c1
Show InChI InChI=1S/C22H20N2O4/c1-27-19-12-5-3-10-17(19)21(25)23-15-8-7-9-16(14-15)24-22(26)18-11-4-6-13-20(18)28-2/h3-14H,1-2H3,(H,23,25)(H,24,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 710n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-3 (unknown origin) expressed in HEK293 cells by QPatch assay


Bioorg Med Chem Lett 24: 3968-73 (2014)

More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM50050540
PNG
(CHEMBL3182359)
Show SMILES COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2OC)c1
Show InChI InChI=1S/C22H20N2O4/c1-27-19-12-5-3-10-17(19)21(25)23-15-8-7-9-16(14-15)24-22(26)18-11-4-6-13-20(18)28-2/h3-14H,1-2H3,(H,23,25)(H,24,26)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by QPatch assay


Bioorg Med Chem Lett 24: 3968-73 (2014)

More data for this
Ligand-Target Pair