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BDBM50451695 CHEMBL4217576

SMILES: COCc1ccc(CNC(=O)c2sc(Br)c3CC(C)(C)CCc23)cc1

InChI Key: InChIKey=LAYLVIDKHAQDFA-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 = 50451695   
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
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50451695
PNG
(CHEMBL4217576)
Show SMILES COCc1ccc(CNC(=O)c2sc(Br)c3CC(C)(C)CCc23)cc1
Show InChI InChI=1S/C20H24BrNO2S/c1-20(2)9-8-15-16(10-20)18(21)25-17(15)19(23)22-11-13-4-6-14(7-5-13)12-24-3/h4-7H,8-12H2,1-3H3,(H,22,23)
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 460n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cav3.1 expressed in HEK293 cells assessed as reduction in CaCl2-induced intracellular calcium flux incubated for 20 m...


Bioorg Med Chem Lett 27: 5326-5331 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.062
BindingDB Entry DOI: 10.7270/Q2C82CV9
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50451695
PNG
(CHEMBL4217576)
Show SMILES COCc1ccc(CNC(=O)c2sc(Br)c3CC(C)(C)CCc23)cc1
Show InChI InChI=1S/C20H24BrNO2S/c1-20(2)9-8-15-16(10-20)18(21)25-17(15)19(23)22-11-13-4-6-14(7-5-13)12-24-3/h4-7H,8-12H2,1-3H3,(H,22,23)
Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 470n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cav3.2 expressed in HEK293 cells assessed as reduction in CaCl2-induced intracellular calcium flux incubated for 20 m...


Bioorg Med Chem Lett 27: 5326-5331 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.062
BindingDB Entry DOI: 10.7270/Q2C82CV9
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50451695
PNG
(CHEMBL4217576)
Show SMILES COCc1ccc(CNC(=O)c2sc(Br)c3CC(C)(C)CCc23)cc1
Show InChI InChI=1S/C20H24BrNO2S/c1-20(2)9-8-15-16(10-20)18(21)25-17(15)19(23)22-11-13-4-6-14(7-5-13)12-24-3/h4-7H,8-12H2,1-3H3,(H,22,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cav3.3 expressed in HEK293 cells assessed as reduction in CaCl2-induced intracellular calcium flux incubated for 20 m...


Bioorg Med Chem Lett 27: 5326-5331 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.062
BindingDB Entry DOI: 10.7270/Q2C82CV9
More data for this
Ligand-Target Pair