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BDBM50200863 CHEMBL3930876

SMILES: C[C@@H]1CN(Cc2cnc(s2)C(F)(F)F)c2cccc(F)c2[C@H](C)N1C(=O)CCc1cccnc1

InChI Key: InChIKey=ZOYSXBYVJKWUNQ-REIYMHPCNA-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 = 50200863   
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))
BDBM50200863
PNG
(CHEMBL3930876)
Show SMILES C[C@@H]1CN(Cc2cnc(s2)C(F)(F)F)c2cccc(F)c2[C@H](C)N1C(=O)CCc1cccnc1
Show InChI InChI=1/C24H24F4N4OS/c1-15-13-31(14-18-12-30-23(34-18)24(26,27)28)20-7-3-6-19(25)22(20)16(2)32(15)21(33)9-8-17-5-4-10-29-11-17/h3-7,10-12,15-16H,8-9,13-14H2,1-2H3/t15-,16+/s2
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PC cid
PC sid
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Article
PubMed
n/an/a 20n/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))
BDBM50200863
PNG
(CHEMBL3930876)
Show SMILES C[C@@H]1CN(Cc2cnc(s2)C(F)(F)F)c2cccc(F)c2[C@H](C)N1C(=O)CCc1cccnc1
Show InChI InChI=1/C24H24F4N4OS/c1-15-13-31(14-18-12-30-23(34-18)24(26,27)28)20-7-3-6-19(25)22(20)16(2)32(15)21(33)9-8-17-5-4-10-29-11-17/h3-7,10-12,15-16H,8-9,13-14H2,1-2H3/t15-,16+/s2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 93n/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))
BDBM50200863
PNG
(CHEMBL3930876)
Show SMILES C[C@@H]1CN(Cc2cnc(s2)C(F)(F)F)c2cccc(F)c2[C@H](C)N1C(=O)CCc1cccnc1
Show InChI InChI=1/C24H24F4N4OS/c1-15-13-31(14-18-12-30-23(34-18)24(26,27)28)20-7-3-6-19(25)22(20)16(2)32(15)21(33)9-8-17-5-4-10-29-11-17/h3-7,10-12,15-16H,8-9,13-14H2,1-2H3/t15-,16+/s2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 115n/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