BindingDB logo
myBDB logout

BDBM50426570 CHEMBL2324344

SMILES: CCCC(=O)C1CCN(CC1)c1ncnc2CCN(Cc12)C(=O)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=CJZGRIRZVHNUSM-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50426570   
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))
BDBM50426570
PNG
(CHEMBL2324344)
Show SMILES CCCC(=O)C1CCN(CC1)c1ncnc2CCN(Cc12)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H32N4O2/c1-2-6-27(34)23-13-16-32(17-14-23)28-25-19-33(18-15-26(25)30-20-31-28)29(35)24-11-9-22(10-12-24)21-7-4-3-5-8-21/h3-5,7-12,20,23H,2,6,13-19H2,1H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/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 protein TASK-1


(Homo sapiens (Human))
BDBM50426570
PNG
(CHEMBL2324344)
Show SMILES CCCC(=O)C1CCN(CC1)c1ncnc2CCN(Cc12)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H32N4O2/c1-2-6-27(34)23-13-16-32(17-14-23)28-25-19-33(18-15-26(25)30-20-31-28)29(35)24-11-9-22(10-12-24)21-7-4-3-5-8-21/h3-5,7-12,20,23H,2,6,13-19H2,1H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin)


J Med Chem 56: 593-624 (2013)

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


(Homo sapiens)
BDBM50426570
PNG
(CHEMBL2324344)
Show SMILES CCCC(=O)C1CCN(CC1)c1ncnc2CCN(Cc12)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H32N4O2/c1-2-6-27(34)23-13-16-32(17-14-23)28-25-19-33(18-15-26(25)30-20-31-28)29(35)24-11-9-22(10-12-24)21-7-4-3-5-8-21/h3-5,7-12,20,23H,2,6,13-19H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TASK-3 (unknown origin)


J Med Chem 56: 593-624 (2013)

More data for this
Ligand-Target Pair