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SMILES: C[C@@H]1CN(Cc2cnc(s2)C(F)(F)F)c2ccccc2[C@H](C)N1C(=O)Nc1cccnc1

InChI Key: InChIKey=GKWAPJKRLCMEES-CABCVRRESA-N

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 = 50200825   
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))
BDBM50200825
PNG
(CHEMBL3972616)
Show SMILES C[C@@H]1CN(Cc2cnc(s2)C(F)(F)F)c2ccccc2[C@H](C)N1C(=O)Nc1cccnc1 |r|
Show InChI InChI=1S/C22H22F3N5OS/c1-14-12-29(13-17-11-27-20(32-17)22(23,24)25)19-8-4-3-7-18(19)15(2)30(14)21(31)28-16-6-5-9-26-10-16/h3-11,14-15H,12-13H2,1-2H3,(H,28,31)/t14-,15+/m1/s1
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PubMed
n/an/a 33n/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))
BDBM50200825
PNG
(CHEMBL3972616)
Show SMILES C[C@@H]1CN(Cc2cnc(s2)C(F)(F)F)c2ccccc2[C@H](C)N1C(=O)Nc1cccnc1 |r|
Show InChI InChI=1S/C22H22F3N5OS/c1-14-12-29(13-17-11-27-20(32-17)22(23,24)25)19-8-4-3-7-18(19)15(2)30(14)21(31)28-16-6-5-9-26-10-16/h3-11,14-15H,12-13H2,1-2H3,(H,28,31)/t14-,15+/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 42n/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))
BDBM50200825
PNG
(CHEMBL3972616)
Show SMILES C[C@@H]1CN(Cc2cnc(s2)C(F)(F)F)c2ccccc2[C@H](C)N1C(=O)Nc1cccnc1 |r|
Show InChI InChI=1S/C22H22F3N5OS/c1-14-12-29(13-17-11-27-20(32-17)22(23,24)25)19-8-4-3-7-18(19)15(2)30(14)21(31)28-16-6-5-9-26-10-16/h3-11,14-15H,12-13H2,1-2H3,(H,28,31)/t14-,15+/m1/s1
PDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 33n/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