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BDBM50050539 CHEMBL3187891

SMILES: Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1

InChI Key: InChIKey=KCZVRYSHVOQAAB-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50050539   
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))
BDBM50050539
PNG
(CHEMBL3187891)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1
Show InChI InChI=1S/C20H17N3O2/c1-14-4-2-5-16(12-14)20(25)23-18-7-3-6-17(13-18)22-19(24)15-8-10-21-11-9-15/h2-13H,1H3,(H,22,24)(H,23,25)
KEGG

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n/an/a 95n/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
KCNQ (Kv7) potassium channel


(Homo sapiens)
BDBM50050539
PNG
(CHEMBL3187891)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1
Show InChI InChI=1S/C20H17N3O2/c1-14-4-2-5-16(12-14)20(25)23-18-7-3-6-17(13-18)22-19(24)15-8-10-21-11-9-15/h2-13H,1H3,(H,22,24)(H,23,25)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of KCNQ2 (unknown origin)


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

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50050539
PNG
(CHEMBL3187891)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1
Show InChI InChI=1S/C20H17N3O2/c1-14-4-2-5-16(12-14)20(25)23-18-7-3-6-17(13-18)22-19(24)15-8-10-21-11-9-15/h2-13H,1H3,(H,22,24)(H,23,25)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of human ERG


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

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


(Homo sapiens)
BDBM50050539
PNG
(CHEMBL3187891)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1
Show InChI InChI=1S/C20H17N3O2/c1-14-4-2-5-16(12-14)20(25)23-18-7-3-6-17(13-18)22-19(24)15-8-10-21-11-9-15/h2-13H,1H3,(H,22,24)(H,23,25)
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n/an/a>3.00E+4n/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 protein TASK-1


(Homo sapiens (Human))
BDBM50050539
PNG
(CHEMBL3187891)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1
Show InChI InChI=1S/C20H17N3O2/c1-14-4-2-5-16(12-14)20(25)23-18-7-3-6-17(13-18)22-19(24)15-8-10-21-11-9-15/h2-13H,1H3,(H,22,24)(H,23,25)
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PubMed
n/an/a 2.14E+3n/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
Potassium channel subfamily K member 9


(Homo sapiens)
BDBM50050539
PNG
(CHEMBL3187891)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1
Show InChI InChI=1S/C20H17N3O2/c1-14-4-2-5-16(12-14)20(25)23-18-7-3-6-17(13-18)22-19(24)15-8-10-21-11-9-15/h2-13H,1H3,(H,22,24)(H,23,25)
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Article
PubMed
n/an/a 1.25E+4n/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
Inward rectifier potassium channel 2


(Homo sapiens)
BDBM50050539
PNG
(CHEMBL3187891)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1
Show InChI InChI=1S/C20H17N3O2/c1-14-4-2-5-16(12-14)20(25)23-18-7-3-6-17(13-18)22-19(24)15-8-10-21-11-9-15/h2-13H,1H3,(H,22,24)(H,23,25)
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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of Kir2.1 (unknown origin)


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

More data for this
Ligand-Target Pair