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Target
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IC50
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EC50
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Compile Data Set for Download or QSAR
Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 370.4
BDBM50200821
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
3
hits in this display
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human))
BDBM50200821
(CHEMBL3970445)
Show SMILES
C[C@@H]1CN(Cc2ccccc2)c2ccccc2C(=O)N1CCc1ccccc1 |r|
Show InChI
InChI=1S/C25H26N2O/c1-20-18-26(19-22-12-6-3-7-13-22)24-15-9-8-14-23(24)25(28)27(20)17-16-21-10-4-2-5-11-21/h2-15,20H,16-19H2,1H3/t20-/m1/s1
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
618
n/a
n/a
n/a
n/a
n/a
n/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))
BDBM50200821
(CHEMBL3970445)
Show SMILES
C[C@@H]1CN(Cc2ccccc2)c2ccccc2C(=O)N1CCc1ccccc1 |r|
Show InChI
InChI=1S/C25H26N2O/c1-20-18-26(19-22-12-6-3-7-13-22)24-15-9-8-14-23(24)25(28)27(20)17-16-21-10-4-2-5-11-21/h2-15,20H,16-19H2,1H3/t20-/m1/s1
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
676
n/a
n/a
n/a
n/a
n/a
n/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
Voltage-dependent T-type calcium channel subunit alpha-1I
(Homo sapiens (Human))
BDBM50200821
(CHEMBL3970445)
Show SMILES
C[C@@H]1CN(Cc2ccccc2)c2ccccc2C(=O)N1CCc1ccccc1 |r|
Show InChI
InChI=1S/C25H26N2O/c1-20-18-26(19-22-12-6-3-7-13-22)24-15-9-8-14-23(24)25(28)27(20)17-16-21-10-4-2-5-11-21/h2-15,20H,16-19H2,1H3/t20-/m1/s1
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
1.59E+3
n/a
n/a
n/a
n/a
n/a
n/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