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SMILES: C[C@@H]1CN(Cc2ccccc2F)c2cnccc2[C@H](C)N1C(=O)NCc1ccccc1

InChI Key: InChIKey=SIFUDDZFIOEDIJ-MOPGFXCFSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50200857   
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-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))
BDBM50200857
PNG
(CHEMBL3972450)
Show SMILES C[C@@H]1CN(Cc2ccccc2F)c2cnccc2[C@H](C)N1C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C25H27FN4O/c1-18-16-29(17-21-10-6-7-11-23(21)26)24-15-27-13-12-22(24)19(2)30(18)25(31)28-14-20-8-4-3-5-9-20/h3-13,15,18-19H,14,16-17H2,1-2H3,(H,28,31)/t18-,19+/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Channel blocking activity at recombinant human CaV 3.3 channel expressed in HEK293 cells assessed as inhibition of Ca2+ flux preincubated for 3 mins ...


J Med Chem 59: 10661-10675 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01356
BindingDB Entry DOI: 10.7270/Q2RV0QN8
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50200857
PNG
(CHEMBL3972450)
Show SMILES C[C@@H]1CN(Cc2ccccc2F)c2cnccc2[C@H](C)N1C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C25H27FN4O/c1-18-16-29(17-21-10-6-7-11-23(21)26)24-15-27-13-12-22(24)19(2)30(18)25(31)28-14-20-8-4-3-5-9-20/h3-13,15,18-19H,14,16-17H2,1-2H3,(H,28,31)/t18-,19+/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 95n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Channel blocking activity at recombinant human CaV 3.2 channel expressed in HEK293 cells assessed as inhibition of Ca2+ flux preincubated for 3 mins ...


J Med Chem 59: 10661-10675 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01356
BindingDB Entry DOI: 10.7270/Q2RV0QN8
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50200857
PNG
(CHEMBL3972450)
Show SMILES C[C@@H]1CN(Cc2ccccc2F)c2cnccc2[C@H](C)N1C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C25H27FN4O/c1-18-16-29(17-21-10-6-7-11-23(21)26)24-15-27-13-12-22(24)19(2)30(18)25(31)28-14-20-8-4-3-5-9-20/h3-13,15,18-19H,14,16-17H2,1-2H3,(H,28,31)/t18-,19+/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 47n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Channel blocking activity at recombinant human CaV 3.1 channel expressed in HEK293 cells assessed as inhibition of Ca2+ flux preincubated for 3 mins ...


J Med Chem 59: 10661-10675 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01356
BindingDB Entry DOI: 10.7270/Q2RV0QN8
More data for this
Ligand-Target Pair