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SMILES: C[C@@H]1CN(CC2CCCC2)c2ccccc2[C@H](C)N1C(=O)Nc1cccnc1

InChI Key: InChIKey=YWXMMYXHDBSBEQ-MSOLQXFVSA-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 = 50200869   
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-1H


(Homo sapiens (Human))
BDBM50200869
PNG
(CHEMBL3915547)
Show SMILES C[C@@H]1CN(CC2CCCC2)c2ccccc2[C@H](C)N1C(=O)Nc1cccnc1 |r|
Show InChI InChI=1S/C23H30N4O/c1-17-15-26(16-19-8-3-4-9-19)22-12-6-5-11-21(22)18(2)27(17)23(28)25-20-10-7-13-24-14-20/h5-7,10-14,17-19H,3-4,8-9,15-16H2,1-2H3,(H,25,28)/t17-,18+/m1/s1
UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 62n/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-1I


(Homo sapiens (Human))
BDBM50200869
PNG
(CHEMBL3915547)
Show SMILES C[C@@H]1CN(CC2CCCC2)c2ccccc2[C@H](C)N1C(=O)Nc1cccnc1 |r|
Show InChI InChI=1S/C23H30N4O/c1-17-15-26(16-19-8-3-4-9-19)22-12-6-5-11-21(22)18(2)27(17)23(28)25-20-10-7-13-24-14-20/h5-7,10-14,17-19H,3-4,8-9,15-16H2,1-2H3,(H,25,28)/t17-,18+/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 14n/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-1G


(Homo sapiens (Human))
BDBM50200869
PNG
(CHEMBL3915547)
Show SMILES C[C@@H]1CN(CC2CCCC2)c2ccccc2[C@H](C)N1C(=O)Nc1cccnc1 |r|
Show InChI InChI=1S/C23H30N4O/c1-17-15-26(16-19-8-3-4-9-19)22-12-6-5-11-21(22)18(2)27(17)23(28)25-20-10-7-13-24-14-20/h5-7,10-14,17-19H,3-4,8-9,15-16H2,1-2H3,(H,25,28)/t17-,18+/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 23n/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