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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Voltage-dependent T-type calcium channel subunit alpha-1H' and Ligand = 'BDBM50322936'   
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))
BDBM50322936
PNG
(1-(4-chlorophenyl)-N-(3-cyanophenyl)-2-(3-fluoroph...)
Show SMILES Fc1cccc(c1)N1C(c2ccc(Cl)cc2)C2(CCN(CC2)C(=O)Nc2cccc(c2)C#N)C1=O
Show InChI InChI=1S/C27H22ClFN4O2/c28-20-9-7-19(8-10-20)24-27(25(34)33(24)23-6-2-4-21(29)16-23)11-13-32(14-12-27)26(35)31-22-5-1-3-18(15-22)17-30/h1-10,15-16,24H,11-14H2,(H,31,35)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 183n/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))
BDBM50322936
PNG
(1-(4-chlorophenyl)-N-(3-cyanophenyl)-2-(3-fluoroph...)
Show SMILES Fc1cccc(c1)N1C(c2ccc(Cl)cc2)C2(CCN(CC2)C(=O)Nc2cccc(c2)C#N)C1=O
Show InChI InChI=1S/C27H22ClFN4O2/c28-20-9-7-19(8-10-20)24-27(25(34)33(24)23-6-2-4-21(29)16-23)11-13-32(14-12-27)26(35)31-22-5-1-3-18(15-22)17-30/h1-10,15-16,24H,11-14H2,(H,31,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 183n/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