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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Voltage-dependent T-type calcium channel subunit alpha-1H' and Ligand = 'BDBM50322941'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50322941
PNG
(2-(3-chlorophenyl)-N-(3,4-difluorophenyl)-1-oxo-3-...)
Show SMILES Fc1ccc(NC(=O)N2CCC3(CC2)C(N(C3=O)c2cccc(Cl)c2)c2ccccn2)cc1F
Show InChI InChI=1S/C25H21ClF2N4O2/c26-16-4-3-5-18(14-16)32-22(21-6-1-2-11-29-21)25(23(32)33)9-12-31(13-10-25)24(34)30-17-7-8-19(27)20(28)15-17/h1-8,11,14-15,22H,9-10,12-13H2,(H,30,34)
UniProtKB/SwissProt

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Article
PubMed
n/an/a 116n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by Ionworks HT assay


Bioorg Med Chem Lett 20: 4602-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.012
BindingDB Entry DOI: 10.7270/Q2NS0V34
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50322941
PNG
(2-(3-chlorophenyl)-N-(3,4-difluorophenyl)-1-oxo-3-...)
Show SMILES Fc1ccc(NC(=O)N2CCC3(CC2)C(N(C3=O)c2cccc(Cl)c2)c2ccccn2)cc1F
Show InChI InChI=1S/C25H21ClF2N4O2/c26-16-4-3-5-18(14-16)32-22(21-6-1-2-11-29-21)25(23(32)33)9-12-31(13-10-25)24(34)30-17-7-8-19(27)20(28)15-17/h1-8,11,14-15,22H,9-10,12-13H2,(H,30,34)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 116n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by Ionworks HT assay


Bioorg Med Chem Lett 20: 4602-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.012
BindingDB Entry DOI: 10.7270/Q2NS0V34
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50322941
PNG
(2-(3-chlorophenyl)-N-(3,4-difluorophenyl)-1-oxo-3-...)
Show SMILES Fc1ccc(NC(=O)N2CCC3(CC2)C(N(C3=O)c2cccc(Cl)c2)c2ccccn2)cc1F
Show InChI InChI=1S/C25H21ClF2N4O2/c26-16-4-3-5-18(14-16)32-22(21-6-1-2-11-29-21)25(23(32)33)9-12-31(13-10-25)24(34)30-17-7-8-19(27)20(28)15-17/h1-8,11,14-15,22H,9-10,12-13H2,(H,30,34)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 118n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by whole cell path clamp method


Bioorg Med Chem Lett 20: 4602-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.012
BindingDB Entry DOI: 10.7270/Q2NS0V34
More data for this
Ligand-Target Pair