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BDBM50200856 CHEMBL3956823

SMILES: COc1ccc(CNC(=O)N2[C@H](C)CN(Cc3ccccc3)c3cnccc3[C@@H]2C)cc1

InChI Key: InChIKey=CLFJPBGQNIDAPB-UXHICEINSA-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 = 50200856   
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))
BDBM50200856
PNG
(CHEMBL3956823)
Show SMILES COc1ccc(CNC(=O)N2[C@H](C)CN(Cc3ccccc3)c3cnccc3[C@@H]2C)cc1 |r|
Show InChI InChI=1S/C26H30N4O2/c1-19-17-29(18-22-7-5-4-6-8-22)25-16-27-14-13-24(25)20(2)30(19)26(31)28-15-21-9-11-23(32-3)12-10-21/h4-14,16,19-20H,15,17-18H2,1-3H3,(H,28,31)/t19-,20+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

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 3.3 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-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50200856
PNG
(CHEMBL3956823)
Show SMILES COc1ccc(CNC(=O)N2[C@H](C)CN(Cc3ccccc3)c3cnccc3[C@@H]2C)cc1 |r|
Show InChI InChI=1S/C26H30N4O2/c1-19-17-29(18-22-7-5-4-6-8-22)25-16-27-14-13-24(25)20(2)30(19)26(31)28-15-21-9-11-23(32-3)12-10-21/h4-14,16,19-20H,15,17-18H2,1-3H3,(H,28,31)/t19-,20+/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 79n/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))
BDBM50200856
PNG
(CHEMBL3956823)
Show SMILES COc1ccc(CNC(=O)N2[C@H](C)CN(Cc3ccccc3)c3cnccc3[C@@H]2C)cc1 |r|
Show InChI InChI=1S/C26H30N4O2/c1-19-17-29(18-22-7-5-4-6-8-22)25-16-27-14-13-24(25)20(2)30(19)26(31)28-15-21-9-11-23(32-3)12-10-21/h4-14,16,19-20H,15,17-18H2,1-3H3,(H,28,31)/t19-,20+/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 48n/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