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BDBM50452242 CHEMBL4206509

SMILES: Fc1ccc(Cn2ccc(NC(=O)Cc3ccc(cc3)C3CC(F)(F)C3)n2)cc1F

InChI Key: InChIKey=YMZQWRKBOMOMLK-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 = 50452242   
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
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50452242
PNG
(CHEMBL4206509)
Show SMILES Fc1ccc(Cn2ccc(NC(=O)Cc3ccc(cc3)C3CC(F)(F)C3)n2)cc1F
Show InChI InChI=1S/C22H19F4N3O/c23-18-6-3-15(9-19(18)24)13-29-8-7-20(28-29)27-21(30)10-14-1-4-16(5-2-14)17-11-22(25,26)12-17/h1-9,17H,10-13H2,(H,27,28,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...


J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50452242
PNG
(CHEMBL4206509)
Show SMILES Fc1ccc(Cn2ccc(NC(=O)Cc3ccc(cc3)C3CC(F)(F)C3)n2)cc1F
Show InChI InChI=1S/C22H19F4N3O/c23-18-6-3-15(9-19(18)24)13-29-8-7-20(28-29)27-21(30)10-14-1-4-16(5-2-14)17-11-22(25,26)12-17/h1-9,17H,10-13H2,(H,27,28,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.1 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...


J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50452242
PNG
(CHEMBL4206509)
Show SMILES Fc1ccc(Cn2ccc(NC(=O)Cc3ccc(cc3)C3CC(F)(F)C3)n2)cc1F
Show InChI InChI=1S/C22H19F4N3O/c23-18-6-3-15(9-19(18)24)13-29-8-7-20(28-29)27-21(30)10-14-1-4-16(5-2-14)17-11-22(25,26)12-17/h1-9,17H,10-13H2,(H,27,28,30)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.10n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.2 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...


J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair