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SMILES: Fc1cc(F)cc(NC(=O)N2CCC3(CC2)C(N(C3=O)c2cccc(c2)C#N)c2ccccn2)c1

InChI Key: InChIKey=HFAPBMCMVMGMST-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50322944   
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-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50322944
PNG
(2-(3-cyanophenyl)-N-(3,5-difluorophenyl)-1-oxo-3-(...)
Show SMILES Fc1cc(F)cc(NC(=O)N2CCC3(CC2)C(N(C3=O)c2cccc(c2)C#N)c2ccccn2)c1
Show InChI InChI=1S/C26H21F2N5O2/c27-18-13-19(28)15-20(14-18)31-25(35)32-10-7-26(8-11-32)23(22-6-1-2-9-30-22)33(24(26)34)21-5-3-4-17(12-21)16-29/h1-6,9,12-15,23H,7-8,10-11H2,(H,31,35)
UniProtKB/SwissProt

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Article
PubMed
n/an/a 2.38E+3n/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))
BDBM50322944
PNG
(2-(3-cyanophenyl)-N-(3,5-difluorophenyl)-1-oxo-3-(...)
Show SMILES Fc1cc(F)cc(NC(=O)N2CCC3(CC2)C(N(C3=O)c2cccc(c2)C#N)c2ccccn2)c1
Show InChI InChI=1S/C26H21F2N5O2/c27-18-13-19(28)15-20(14-18)31-25(35)32-10-7-26(8-11-32)23(22-6-1-2-9-30-22)33(24(26)34)21-5-3-4-17(12-21)16-29/h1-6,9,12-15,23H,7-8,10-11H2,(H,31,35)
UniProtKB/SwissProt

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Article
PubMed
n/an/a 247n/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))
BDBM50322944
PNG
(2-(3-cyanophenyl)-N-(3,5-difluorophenyl)-1-oxo-3-(...)
Show SMILES Fc1cc(F)cc(NC(=O)N2CCC3(CC2)C(N(C3=O)c2cccc(c2)C#N)c2ccccn2)c1
Show InChI InChI=1S/C26H21F2N5O2/c27-18-13-19(28)15-20(14-18)31-25(35)32-10-7-26(8-11-32)23(22-6-1-2-9-30-22)33(24(26)34)21-5-3-4-17(12-21)16-29/h1-6,9,12-15,23H,7-8,10-11H2,(H,31,35)
UniProtKB/SwissProt

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Article
PubMed
n/an/a 732n/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))
BDBM50322944
PNG
(2-(3-cyanophenyl)-N-(3,5-difluorophenyl)-1-oxo-3-(...)
Show SMILES Fc1cc(F)cc(NC(=O)N2CCC3(CC2)C(N(C3=O)c2cccc(c2)C#N)c2ccccn2)c1
Show InChI InChI=1S/C26H21F2N5O2/c27-18-13-19(28)15-20(14-18)31-25(35)32-10-7-26(8-11-32)23(22-6-1-2-9-30-22)33(24(26)34)21-5-3-4-17(12-21)16-29/h1-6,9,12-15,23H,7-8,10-11H2,(H,31,35)
UniProtKB/SwissProt

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Article
PubMed
n/an/a 1.93E+4n/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