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BDBM50200904 CHEMBL3936835

SMILES: C[C@@H]1CN(Cc2ccccc2)c2cc(F)ccc2[C@H](C)N1C(=O)Nc1cccnc1

InChI Key: InChIKey=DKIVTKARIWZZCD-MSOLQXFVSA-N

Data: 3 IC50

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 = 50200904   
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-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50200904
PNG
(CHEMBL3936835)
Show SMILES C[C@@H]1CN(Cc2ccccc2)c2cc(F)ccc2[C@H](C)N1C(=O)Nc1cccnc1 |r|
Show InChI InChI=1S/C24H25FN4O/c1-17-15-28(16-19-7-4-3-5-8-19)23-13-20(25)10-11-22(23)18(2)29(17)24(30)27-21-9-6-12-26-14-21/h3-14,17-18H,15-16H2,1-2H3,(H,27,30)/t17-,18+/m1/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/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
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50200904
PNG
(CHEMBL3936835)
Show SMILES C[C@@H]1CN(Cc2ccccc2)c2cc(F)ccc2[C@H](C)N1C(=O)Nc1cccnc1 |r|
Show InChI InChI=1S/C24H25FN4O/c1-17-15-28(16-19-7-4-3-5-8-19)23-13-20(25)10-11-22(23)18(2)29(17)24(30)27-21-9-6-12-26-14-21/h3-14,17-18H,15-16H2,1-2H3,(H,27,30)/t17-,18+/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/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-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50200904
PNG
(CHEMBL3936835)
Show SMILES C[C@@H]1CN(Cc2ccccc2)c2cc(F)ccc2[C@H](C)N1C(=O)Nc1cccnc1 |r|
Show InChI InChI=1S/C24H25FN4O/c1-17-15-28(16-19-7-4-3-5-8-19)23-13-20(25)10-11-22(23)18(2)29(17)24(30)27-21-9-6-12-26-14-21/h3-14,17-18H,15-16H2,1-2H3,(H,27,30)/t17-,18+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/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