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SMILES: C[C@@H]1CN(Cc2cnc(s2)C(F)(F)F)c2ccccc2[C@H](C)N1C(=O)CCc1cccnc1

InChI Key: InChIKey=IQZAEMUOLQJOKA-SJORKVTESA-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 = 50200925   
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))
BDBM50200925
PNG
(CHEMBL3902886)
Show SMILES C[C@@H]1CN(Cc2cnc(s2)C(F)(F)F)c2ccccc2[C@H](C)N1C(=O)CCc1cccnc1 |r|
Show InChI InChI=1S/C24H25F3N4OS/c1-16-14-30(15-19-13-29-23(33-19)24(25,26)27)21-8-4-3-7-20(21)17(2)31(16)22(32)10-9-18-6-5-11-28-12-18/h3-8,11-13,16-17H,9-10,14-15H2,1-2H3/t16-,17+/m1/s1
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PubMed
n/an/a 13n/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))
BDBM50200925
PNG
(CHEMBL3902886)
Show SMILES C[C@@H]1CN(Cc2cnc(s2)C(F)(F)F)c2ccccc2[C@H](C)N1C(=O)CCc1cccnc1 |r|
Show InChI InChI=1S/C24H25F3N4OS/c1-16-14-30(15-19-13-29-23(33-19)24(25,26)27)21-8-4-3-7-20(21)17(2)31(16)22(32)10-9-18-6-5-11-28-12-18/h3-8,11-13,16-17H,9-10,14-15H2,1-2H3/t16-,17+/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/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))
BDBM50200925
PNG
(CHEMBL3902886)
Show SMILES C[C@@H]1CN(Cc2cnc(s2)C(F)(F)F)c2ccccc2[C@H](C)N1C(=O)CCc1cccnc1 |r|
Show InChI InChI=1S/C24H25F3N4OS/c1-16-14-30(15-19-13-29-23(33-19)24(25,26)27)21-8-4-3-7-20(21)17(2)31(16)22(32)10-9-18-6-5-11-28-12-18/h3-8,11-13,16-17H,9-10,14-15H2,1-2H3/t16-,17+/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/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