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Compile Data Set for Download or QSAR

Found 202 hits with Last Name = 'bridal' and Initial = 't'   
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))
BDBM50322938
PNG
(2-(3-chloro-4-fluorophenyl)-N-(3,5-difluorophenyl)...)
Show SMILES Fc1cc(F)cc(NC(=O)N2CCC3(CC2)C(N(C3=O)c2ccc(F)c(Cl)c2)c2ccccn2)c1
Show InChI InChI=1S/C25H20ClF3N4O2/c26-19-14-18(4-5-20(19)29)33-22(21-3-1-2-8-30-21)25(23(33)34)6-9-32(10-7-25)24(35)31-17-12-15(27)11-16(28)13-17/h1-5,8,11-14,22H,6-7,9-10H2,(H,31,35)
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n/an/a 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 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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50057398
PNG
(CHEMBL3322775)
Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(N(C)C)c(Cl)c3)c3cccn-23)c1
Show InChI InChI=1S/C25H27ClN4O2/c1-28(2)21-8-6-17(15-19(21)26)24(31)29-13-10-25(11-14-29)23-5-4-12-30(23)22-9-7-18(32-3)16-20(22)27-25/h4-9,12,15-16,27H,10-11,13-14H2,1-3H3
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KEGG

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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay


Bioorg Med Chem Lett 24: 4110-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.060
BindingDB Entry DOI: 10.7270/Q24M9656
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50057402
PNG
(CHEMBL3322777)
Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(OC)c(c3)N(C)C)c3cccn-23)c1
Show InChI InChI=1S/C26H30N4O3/c1-28(2)22-16-18(7-10-23(22)33-4)25(31)29-14-11-26(12-15-29)24-6-5-13-30(24)21-9-8-19(32-3)17-20(21)27-26/h5-10,13,16-17,27H,11-12,14-15H2,1-4H3
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KEGG

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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells after 60 mins by FLIPR assay


Bioorg Med Chem Lett 24: 4958-62 (2014)


BindingDB Entry DOI: 10.7270/Q21Z465T
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50057402
PNG
(CHEMBL3322777)
Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(OC)c(c3)N(C)C)c3cccn-23)c1
Show InChI InChI=1S/C26H30N4O3/c1-28(2)22-16-18(7-10-23(22)33-4)25(31)29-14-11-26(12-15-29)24-6-5-13-30(24)21-9-8-19(32-3)17-20(21)27-26/h5-10,13,16-17,27H,11-12,14-15H2,1-4H3
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KEGG

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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay


Bioorg Med Chem Lett 24: 4110-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.060
BindingDB Entry DOI: 10.7270/Q24M9656
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50103575
PNG
(CHEMBL3337585)
Show SMILES COc1ccc(cc1N(C)C)C(=O)N1CCC2(CC1)Nc1cc(ccc1-n1cccc21)C(F)(F)F
Show InChI InChI=1S/C26H27F3N4O2/c1-31(2)21-15-17(6-9-22(21)35-3)24(34)32-13-10-25(11-14-32)23-5-4-12-33(23)20-8-7-18(26(27,28)29)16-19(20)30-25/h4-9,12,15-16,30H,10-11,13-14H2,1-3H3
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KEGG

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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells after 60 mins by FLIPR assay


Bioorg Med Chem Lett 24: 4958-62 (2014)


BindingDB Entry DOI: 10.7270/Q21Z465T
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50322940
PNG
(2-(3,4-difluorophenyl)-1-oxo-3-(pyridin-2-yl)-N-(3...)
Show SMILES Fc1ccc(cc1F)N1C(c2ccccn2)C2(CCN(CC2)C(=O)Nc2cccc(c2)C(F)(F)F)C1=O
Show InChI InChI=1S/C26H21F5N4O2/c27-19-8-7-18(15-20(19)28)35-22(21-6-1-2-11-32-21)25(23(35)36)9-12-34(13-10-25)24(37)33-17-5-3-4-16(14-17)26(29,30)31/h1-8,11,14-15,22H,9-10,12-13H2,(H,33,37)
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n/an/a 17n/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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50057365
PNG
(CHEMBL3322762)
Show SMILES COc1ccc-2c(NC3(CCN(Cc4ccccc4)CC3)c3cccn-23)c1
Show InChI InChI=1S/C23H25N3O/c1-27-19-9-10-21-20(16-19)24-23(22-8-5-13-26(21)22)11-14-25(15-12-23)17-18-6-3-2-4-7-18/h2-10,13,16,24H,11-12,14-15,17H2,1H3
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KEGG

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n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay


Bioorg Med Chem Lett 24: 4110-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.060
BindingDB Entry DOI: 10.7270/Q24M9656
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50322943
PNG
(2-(3-chlorophenyl)-N-(3,5-difluorophenyl)-1-oxo-3-...)
Show SMILES Fc1cc(F)cc(NC(=O)N2CCC3(CC2)C(N(C3=O)c2cccc(Cl)c2)c2ccccn2)c1
Show InChI InChI=1S/C25H21ClF2N4O2/c26-16-4-3-5-20(12-16)32-22(21-6-1-2-9-29-21)25(23(32)33)7-10-31(11-8-25)24(34)30-19-14-17(27)13-18(28)15-19/h1-6,9,12-15,22H,7-8,10-11H2,(H,30,34)
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n/an/a 18n/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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50103573
PNG
(CHEMBL3337583)
Show SMILES COc1ccc(cc1N(C)C)C(=O)N1CCC2(CC1)Nc1cc(OC(F)(F)F)ccc1-n1cccc21
Show InChI InChI=1S/C26H27F3N4O3/c1-31(2)21-15-17(6-9-22(21)35-3)24(34)32-13-10-25(11-14-32)23-5-4-12-33(23)20-8-7-18(16-19(20)30-25)36-26(27,28)29/h4-9,12,15-16,30H,10-11,13-14H2,1-3H3
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KEGG

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n/an/a 19n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells after 60 mins by FLIPR assay


Bioorg Med Chem Lett 24: 4958-62 (2014)


BindingDB Entry DOI: 10.7270/Q21Z465T
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50103586
PNG
(CHEMBL3337596)
Show SMILES CCCCc1nc2cc(ccc2o1)C(=O)N1CCC2(CC1)Nc1cc(OC)ccc1-n1cccc21
Show InChI InChI=1S/C28H30N4O3/c1-3-4-7-26-29-22-17-19(8-11-24(22)35-26)27(33)31-15-12-28(13-16-31)25-6-5-14-32(25)23-10-9-20(34-2)18-21(23)30-28/h5-6,8-11,14,17-18,30H,3-4,7,12-13,15-16H2,1-2H3
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KEGG

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n/an/a 21n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells after 60 mins by FLIPR assay


Bioorg Med Chem Lett 24: 4958-62 (2014)


BindingDB Entry DOI: 10.7270/Q21Z465T
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50103574
PNG
(CHEMBL3337584)
Show SMILES COc1ccc(cc1N(C)C)C(=O)N1CCC2(CC1)Nc1cc(OC(F)F)ccc1-n1cccc21
Show InChI InChI=1S/C26H28F2N4O3/c1-30(2)21-15-17(6-9-22(21)34-3)24(33)31-13-10-26(11-14-31)23-5-4-12-32(23)20-8-7-18(35-25(27)28)16-19(20)29-26/h4-9,12,15-16,25,29H,10-11,13-14H2,1-3H3
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n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells after 60 mins by FLIPR assay


Bioorg Med Chem Lett 24: 4958-62 (2014)


BindingDB Entry DOI: 10.7270/Q21Z465T
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50322950
PNG
(2-(3-chloro-4-fluorophenyl)-7-(5-fluoro-6-(trifluo...)
Show SMILES Fc1ccc(cc1Cl)N1C(c2ccccn2)C2(CCN(CC2)c2nc3cc(c(F)cc3[nH]2)C(F)(F)F)C1=O
Show InChI InChI=1S/C26H19ClF5N5O/c27-16-11-14(4-5-17(16)28)37-22(19-3-1-2-8-33-19)25(23(37)38)6-9-36(10-7-25)24-34-20-12-15(26(30,31)32)18(29)13-21(20)35-24/h1-5,8,11-13,22H,6-7,9-10H2,(H,34,35)
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n/an/a 29n/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))
BDBM50322950
PNG
(2-(3-chloro-4-fluorophenyl)-7-(5-fluoro-6-(trifluo...)
Show SMILES Fc1ccc(cc1Cl)N1C(c2ccccn2)C2(CCN(CC2)c2nc3cc(c(F)cc3[nH]2)C(F)(F)F)C1=O
Show InChI InChI=1S/C26H19ClF5N5O/c27-16-11-14(4-5-17(16)28)37-22(19-3-1-2-8-33-19)25(23(37)38)6-9-36(10-7-25)24-34-20-12-15(26(30,31)32)18(29)13-21(20)35-24/h1-5,8,11-13,22H,6-7,9-10H2,(H,34,35)
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n/an/a 31n/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))
BDBM50322948
PNG
((2S,3S)-2-(1-(4-chlorophenyl)-2-(3-fluorophenyl)-3...)
Show SMILES CC[C@H](C)[C@H](NC(=O)N1CCC2(CC1)C(N(C2=O)c1cccc(F)c1)c1ccc(Cl)cc1)C(=O)OC#N |r|
Show InChI InChI=1S/C27H28ClFN4O4/c1-3-17(2)22(24(34)37-16-30)31-26(36)32-13-11-27(12-14-32)23(18-7-9-19(28)10-8-18)33(25(27)35)21-6-4-5-20(29)15-21/h4-10,15,17,22-23H,3,11-14H2,1-2H3,(H,31,36)/t17-,22-,23?/m0/s1
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n/an/a 35n/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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50103591
PNG
(CHEMBL3337601)
Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc4n(C)ccc4c3)c3cccn-23)c1
Show InChI InChI=1S/C26H26N4O2/c1-28-13-9-18-16-19(5-7-22(18)28)25(31)29-14-10-26(11-15-29)24-4-3-12-30(24)23-8-6-20(32-2)17-21(23)27-26/h3-9,12-13,16-17,27H,10-11,14-15H2,1-2H3
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n/an/a 35n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells after 60 mins by FLIPR assay


Bioorg Med Chem Lett 24: 4958-62 (2014)


BindingDB Entry DOI: 10.7270/Q21Z465T
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50057401
PNG
(CHEMBL3322776)
Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(OC)c(Cl)c3)c3cccn-23)c1
Show InChI InChI=1S/C24H24ClN3O3/c1-30-17-6-7-20-19(15-17)26-24(22-4-3-11-28(20)22)9-12-27(13-10-24)23(29)16-5-8-21(31-2)18(25)14-16/h3-8,11,14-15,26H,9-10,12-13H2,1-2H3
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n/an/a 37n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay


Bioorg Med Chem Lett 24: 4110-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.060
BindingDB Entry DOI: 10.7270/Q24M9656
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50103589
PNG
(CHEMBL3337599)
Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc4ccccc4n3)c3cccn-23)c1
Show InChI InChI=1S/C26H24N4O2/c1-32-19-9-11-23-22(17-19)28-26(24-7-4-14-30(23)24)12-15-29(16-13-26)25(31)21-10-8-18-5-2-3-6-20(18)27-21/h2-11,14,17,28H,12-13,15-16H2,1H3
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n/an/a 41n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells after 60 mins by FLIPR assay


Bioorg Med Chem Lett 24: 4958-62 (2014)


BindingDB Entry DOI: 10.7270/Q21Z465T
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50322937
PNG
(2-(3-chloro-4-fluorophenyl)-N-(3,5-difluorophenyl)...)
Show SMILES Fc1cc(F)cc(NC(=O)N2CCC3(CN(C3c3ccccn3)c3ccc(F)c(Cl)c3)CC2)c1
Show InChI InChI=1S/C25H22ClF3N4O/c26-20-14-19(4-5-21(20)29)33-15-25(23(33)22-3-1-2-8-30-22)6-9-32(10-7-25)24(34)31-18-12-16(27)11-17(28)13-18/h1-5,8,11-14,23H,6-7,9-10,15H2,(H,31,34)
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n/an/a 41n/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
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50322939
PNG
(2-(3-chloro-4-fluorophenyl)-N-(3,4-difluorophenyl)...)
Show SMILES Fc1ccc(NC(=O)N2CCC3(CC2)C(N(C3=O)c2ccc(F)c(Cl)c2)c2ccccn2)cc1F
Show InChI InChI=1S/C25H20ClF3N4O2/c26-17-14-16(5-7-18(17)27)33-22(21-3-1-2-10-30-21)25(23(33)34)8-11-32(12-9-25)24(35)31-15-4-6-19(28)20(29)13-15/h1-7,10,13-14,22H,8-9,11-12H2,(H,31,35)
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n/an/a 41n/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))
BDBM50322938
PNG
(2-(3-chloro-4-fluorophenyl)-N-(3,5-difluorophenyl)...)
Show SMILES Fc1cc(F)cc(NC(=O)N2CCC3(CC2)C(N(C3=O)c2ccc(F)c(Cl)c2)c2ccccn2)c1
Show InChI InChI=1S/C25H20ClF3N4O2/c26-19-14-18(4-5-20(19)29)33-22(21-3-1-2-8-30-21)25(23(33)34)6-9-32(10-7-25)24(35)31-17-12-15(27)11-16(28)13-17/h1-5,8,11-14,22H,6-7,9-10H2,(H,31,35)
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n/an/a 42n/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
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50322967
PNG
(2-(3-chlorophenyl)-7-(5-fluoro-6-(trifluoromethyl)...)
Show SMILES Fc1cc2[nH]c(nc2cc1C(F)(F)F)N1CCC2(CC1)C(N(C2=O)c1cccc(Cl)c1)c1ccccn1
Show InChI InChI=1S/C26H20ClF4N5O/c27-15-4-3-5-16(12-15)36-22(19-6-1-2-9-32-19)25(23(36)37)7-10-35(11-8-25)24-33-20-13-17(26(29,30)31)18(28)14-21(20)34-24/h1-6,9,12-14,22H,7-8,10-11H2,(H,33,34)
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n/an/a 44n/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))
BDBM50322947
PNG
((2S,3S)-methyl 2-(1-(4-chlorophenyl)-2-(3-fluoroph...)
Show SMILES CC[C@H](C)[C@H](NC(=O)N1CCC2(CC1)C(N(C2=O)c1cccc(F)c1)c1ccc(Cl)cc1)C(=O)OC |r|
Show InChI InChI=1S/C27H31ClFN3O4/c1-4-17(2)22(24(33)36-3)30-26(35)31-14-12-27(13-15-31)23(18-8-10-19(28)11-9-18)32(25(27)34)21-7-5-6-20(29)16-21/h5-11,16-17,22-23H,4,12-15H2,1-3H3,(H,30,35)/t17-,22-,23?/m0/s1
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n/an/a 45n/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))
BDBM50322961
PNG
((2S,3S)-isopropyl 2-(1-(4-chlorophenyl)-2-(3-fluor...)
Show SMILES CC[C@H](C)[C@H](NC(=O)N1CCC2(CC1)C(N(C2=O)c1cccc(F)c1)c1ccc(Cl)cc1)C(=O)OC(C)C |r|
Show InChI InChI=1S/C29H35ClFN3O4/c1-5-19(4)24(26(35)38-18(2)3)32-28(37)33-15-13-29(14-16-33)25(20-9-11-21(30)12-10-20)34(27(29)36)23-8-6-7-22(31)17-23/h6-12,17-19,24-25H,5,13-16H2,1-4H3,(H,32,37)/t19-,24-,25?/m0/s1
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n/an/a 45n/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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50057356
PNG
(CHEMBL3322666)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc21
Show InChI InChI=1S/C24H25N3O/c1-17-14-18(2)16-19(15-17)23(28)26-12-9-24(10-13-26)22-8-5-11-27(22)21-7-4-3-6-20(21)25-24/h3-8,11,14-16,25H,9-10,12-13H2,1-2H3
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n/an/a 47n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay


Bioorg Med Chem Lett 24: 4110-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.060
BindingDB Entry DOI: 10.7270/Q24M9656
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50057374
PNG
(CHEMBL3322759)
Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3cccc(Cl)c3)c3cccn-23)c1
Show InChI InChI=1S/C23H22ClN3O2/c1-29-18-7-8-20-19(15-18)25-23(21-6-3-11-27(20)21)9-12-26(13-10-23)22(28)16-4-2-5-17(24)14-16/h2-8,11,14-15,25H,9-10,12-13H2,1H3
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n/an/a 48n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay


Bioorg Med Chem Lett 24: 4110-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.060
BindingDB Entry DOI: 10.7270/Q24M9656
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50057394
PNG
(CHEMBL3322773)
Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(cc3)N(C)C)c3cccn-23)c1
Show InChI InChI=1S/C25H28N4O2/c1-27(2)19-8-6-18(7-9-19)24(30)28-15-12-25(13-16-28)23-5-4-14-29(23)22-11-10-20(31-3)17-21(22)26-25/h4-11,14,17,26H,12-13,15-16H2,1-3H3
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KEGG

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n/an/a 56n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay


Bioorg Med Chem Lett 24: 4110-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.060
BindingDB Entry DOI: 10.7270/Q24M9656
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50322942
PNG
(2-(3-chlorophenyl)-N-(3-cyanophenyl)-1-oxo-3-(pyri...)
Show SMILES Clc1cccc(c1)N1C(c2ccccn2)C2(CCN(CC2)C(=O)Nc2cccc(c2)C#N)C1=O
Show InChI InChI=1S/C26H22ClN5O2/c27-19-6-4-8-21(16-19)32-23(22-9-1-2-12-29-22)26(24(32)33)10-13-31(14-11-26)25(34)30-20-7-3-5-18(15-20)17-28/h1-9,12,15-16,23H,10-11,13-14H2,(H,30,34)
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n/an/a 57n/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))
BDBM50322949
PNG
(2-(3-chloro-4-fluorophenyl)-7-(6-chloro-5-fluoro-1...)
Show SMILES Fc1ccc(cc1Cl)N1C(c2ccccn2)C2(CCN(CC2)c2nc3cc(Cl)c(F)cc3[nH]2)C1=O
Show InChI InChI=1S/C25H19Cl2F2N5O/c26-15-11-14(4-5-17(15)28)34-22(19-3-1-2-8-30-19)25(23(34)35)6-9-33(10-7-25)24-31-20-12-16(27)18(29)13-21(20)32-24/h1-5,8,11-13,22H,6-7,9-10H2,(H,31,32)
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n/an/a 60n/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))
BDBM50322937
PNG
(2-(3-chloro-4-fluorophenyl)-N-(3,5-difluorophenyl)...)
Show SMILES Fc1cc(F)cc(NC(=O)N2CCC3(CN(C3c3ccccn3)c3ccc(F)c(Cl)c3)CC2)c1
Show InChI InChI=1S/C25H22ClF3N4O/c26-20-14-19(4-5-21(20)29)33-15-25(23(33)22-3-1-2-8-30-22)6-9-32(10-7-25)24(34)31-18-12-16(27)11-17(28)13-18/h1-5,8,11-14,23H,6-7,9-10,15H2,(H,31,34)
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n/an/a 60n/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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50103576
PNG
(CHEMBL3337586)
Show SMILES COCCOc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(OC)c(c3)N(C)C)c3cccn-23)c1
Show InChI InChI=1S/C28H34N4O4/c1-30(2)24-18-20(7-10-25(24)35-4)27(33)31-14-11-28(12-15-31)26-6-5-13-32(26)23-9-8-21(19-22(23)29-28)36-17-16-34-3/h5-10,13,18-19,29H,11-12,14-17H2,1-4H3
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n/an/a 63n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells after 60 mins by FLIPR assay


Bioorg Med Chem Lett 24: 4958-62 (2014)


BindingDB Entry DOI: 10.7270/Q21Z465T
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50322967
PNG
(2-(3-chlorophenyl)-7-(5-fluoro-6-(trifluoromethyl)...)
Show SMILES Fc1cc2[nH]c(nc2cc1C(F)(F)F)N1CCC2(CC1)C(N(C2=O)c1cccc(Cl)c1)c1ccccn1
Show InChI InChI=1S/C26H20ClF4N5O/c27-15-4-3-5-16(12-15)36-22(19-6-1-2-9-32-19)25(23(36)37)7-10-35(11-8-25)24-33-20-13-17(26(29,30)31)18(28)14-21(20)34-24/h1-6,9,12-14,22H,7-8,10-11H2,(H,33,34)
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n/an/a 63n/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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50103587
PNG
(CHEMBL3337597)
Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc4ncccc4c3)c3cccn-23)c1
Show InChI InChI=1S/C26H24N4O2/c1-32-20-7-9-23-22(17-20)28-26(24-5-3-13-30(23)24)10-14-29(15-11-26)25(31)19-6-8-21-18(16-19)4-2-12-27-21/h2-9,12-13,16-17,28H,10-11,14-15H2,1H3
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KEGG

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n/an/a 64n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells after 60 mins by FLIPR assay


Bioorg Med Chem Lett 24: 4958-62 (2014)


BindingDB Entry DOI: 10.7270/Q21Z465T
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50322966
PNG
(7-(6-chloro-1H-benzo[d]imidazol-2-yl)-2-(3-chloro-...)
Show SMILES Fc1ccc(cc1Cl)N1C(c2ccccn2)C2(CCN(CC2)c2nc3ccc(Cl)cc3[nH]2)C1=O
Show InChI InChI=1S/C25H20Cl2FN5O/c26-15-4-7-19-21(13-15)31-24(30-19)32-11-8-25(9-12-32)22(20-3-1-2-10-29-20)33(23(25)34)16-5-6-18(28)17(27)14-16/h1-7,10,13-14,22H,8-9,11-12H2,(H,30,31)
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n/an/a 71n/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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50103592
PNG
(CHEMBL3337602)
Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc4n(C)ncc4c3)c3cccn-23)c1
Show InChI InChI=1S/C25H25N5O2/c1-28-21-7-5-17(14-18(21)16-26-28)24(31)29-12-9-25(10-13-29)23-4-3-11-30(23)22-8-6-19(32-2)15-20(22)27-25/h3-8,11,14-16,27H,9-10,12-13H2,1-2H3
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KEGG

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n/an/a 73n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells after 60 mins by FLIPR assay


Bioorg Med Chem Lett 24: 4958-62 (2014)


BindingDB Entry DOI: 10.7270/Q21Z465T
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50103584
PNG
(CHEMBL3337595)
Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(OC)c(c3)N3CCCC3)c3cccn-23)c1
Show InChI InChI=1S/C28H32N4O3/c1-34-21-8-9-23-22(19-21)29-28(26-6-5-15-32(23)26)11-16-31(17-12-28)27(33)20-7-10-25(35-2)24(18-20)30-13-3-4-14-30/h5-10,15,18-19,29H,3-4,11-14,16-17H2,1-2H3
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n/an/a 73n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells after 60 mins by FLIPR assay


Bioorg Med Chem Lett 24: 4958-62 (2014)


BindingDB Entry DOI: 10.7270/Q21Z465T
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50322966
PNG
(7-(6-chloro-1H-benzo[d]imidazol-2-yl)-2-(3-chloro-...)
Show SMILES Fc1ccc(cc1Cl)N1C(c2ccccn2)C2(CCN(CC2)c2nc3ccc(Cl)cc3[nH]2)C1=O
Show InChI InChI=1S/C25H20Cl2FN5O/c26-15-4-7-19-21(13-15)31-24(30-19)32-11-8-25(9-12-32)22(20-3-1-2-10-29-20)33(23(25)34)16-5-6-18(28)17(27)14-16/h1-7,10,13-14,22H,8-9,11-12H2,(H,30,31)
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n/an/a 78n/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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50103577
PNG
(CHEMBL3337587)
Show SMILES COc1cc2NC3(CCN(CC3)C(=O)c3ccc(OC)c(c3)N(C)C)c3cccn3-c2cc1F
Show InChI InChI=1S/C26H29FN4O3/c1-29(2)21-14-17(7-8-22(21)33-3)25(32)30-12-9-26(10-13-30)24-6-5-11-31(24)20-15-18(27)23(34-4)16-19(20)28-26/h5-8,11,14-16,28H,9-10,12-13H2,1-4H3
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n/an/a 80n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells after 60 mins by FLIPR assay


Bioorg Med Chem Lett 24: 4958-62 (2014)


BindingDB Entry DOI: 10.7270/Q21Z465T
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50057358
PNG
(CHEMBL3322668)
Show SMILES FC(F)(F)Oc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(cc3)C#N)c3cccn-23)c1
Show InChI InChI=1S/C24H19F3N4O2/c25-24(26,27)33-18-7-8-20-19(14-18)29-23(21-2-1-11-31(20)21)9-12-30(13-10-23)22(32)17-5-3-16(15-28)4-6-17/h1-8,11,14,29H,9-10,12-13H2
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n/an/a 81n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay


Bioorg Med Chem Lett 24: 4110-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.060
BindingDB Entry DOI: 10.7270/Q24M9656
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50322931
PNG
(1-(4-chlorophenyl)-2-(3-fluorophenyl)-N-((S)-1-(4-...)
Show SMILES C[C@H](NC(=O)N1CCC2(CC1)C(N(C2=O)c1cccc(F)c1)c1ccc(Cl)cc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C28H26ClF2N3O2/c1-18(19-7-11-22(30)12-8-19)32-27(36)33-15-13-28(14-16-33)25(20-5-9-21(29)10-6-20)34(26(28)35)24-4-2-3-23(31)17-24/h2-12,17-18,25H,13-16H2,1H3,(H,32,36)/t18-,25?/m0/s1
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n/an/a 82n/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))
BDBM50322949
PNG
(2-(3-chloro-4-fluorophenyl)-7-(6-chloro-5-fluoro-1...)
Show SMILES Fc1ccc(cc1Cl)N1C(c2ccccn2)C2(CCN(CC2)c2nc3cc(Cl)c(F)cc3[nH]2)C1=O
Show InChI InChI=1S/C25H19Cl2F2N5O/c26-15-11-14(4-5-17(15)28)34-22(19-3-1-2-8-30-19)25(23(34)35)6-9-33(10-7-25)24-31-20-12-16(27)18(29)13-21(20)32-24/h1-5,8,11-13,22H,6-7,9-10H2,(H,31,32)
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n/an/a 84n/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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50057404
PNG
(CHEMBL3322778)
Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(N(C)C)c(OC)c3)c3cccn-23)c1
Show InChI InChI=1S/C26H30N4O3/c1-28(2)22-9-7-18(16-23(22)33-4)25(31)29-14-11-26(12-15-29)24-6-5-13-30(24)21-10-8-19(32-3)17-20(21)27-26/h5-10,13,16-17,27H,11-12,14-15H2,1-4H3
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n/an/a 87n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay


Bioorg Med Chem Lett 24: 4110-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.060
BindingDB Entry DOI: 10.7270/Q24M9656
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50057378
PNG
(CHEMBL3322772)
Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(Cl)cc3)c3cccn-23)c1
Show InChI InChI=1S/C23H22ClN3O2/c1-29-18-8-9-20-19(15-18)25-23(21-3-2-12-27(20)21)10-13-26(14-11-23)22(28)16-4-6-17(24)7-5-16/h2-9,12,15,25H,10-11,13-14H2,1H3
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n/an/a 94n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay


Bioorg Med Chem Lett 24: 4110-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.060
BindingDB Entry DOI: 10.7270/Q24M9656
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50103578
PNG
(CHEMBL3337589)
Show SMILES COc1ccc-2c(N[C@@]3(CCN(C[C@@H]3C)C(=O)c3ccc(OC)c(c3)N(C)C)c3cccn-23)c1 |r|
Show InChI InChI=1/C27H32N4O3/c1-18-17-30(26(32)19-8-11-24(34-5)23(15-19)29(2)3)14-12-27(18)25-7-6-13-31(25)22-10-9-20(33-4)16-21(22)28-27/h6-11,13,15-16,18,28H,12,14,17H2,1-5H3/t18-,27+/s2
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n/an/a 103n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells after 60 mins by FLIPR assay


Bioorg Med Chem Lett 24: 4958-62 (2014)


BindingDB Entry DOI: 10.7270/Q21Z465T
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50322963
PNG
((2S,3S)-methyl 2-(1-(4-chlorophenyl)-2-isopropyl-2...)
Show SMILES CC[C@H](C)[C@H](NC(=O)N1CCC2(CN(C(C)C)C2c2ccc(Cl)cc2)CC1)C(=O)OC |r|
Show InChI InChI=1S/C24H36ClN3O3/c1-6-17(4)20(22(29)31-5)26-23(30)27-13-11-24(12-14-27)15-28(16(2)3)21(24)18-7-9-19(25)10-8-18/h7-10,16-17,20-21H,6,11-15H2,1-5H3,(H,26,30)/t17-,20-,21?/m0/s1
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n/an/a 104n/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))
BDBM50322950
PNG
(2-(3-chloro-4-fluorophenyl)-7-(5-fluoro-6-(trifluo...)
Show SMILES Fc1ccc(cc1Cl)N1C(c2ccccn2)C2(CCN(CC2)c2nc3cc(c(F)cc3[nH]2)C(F)(F)F)C1=O
Show InChI InChI=1S/C26H19ClF5N5O/c27-16-11-14(4-5-17(16)28)37-22(19-3-1-2-8-33-19)25(23(37)38)6-9-36(10-7-25)24-34-20-12-15(26(30,31)32)18(29)13-21(20)35-24/h1-5,8,11-13,22H,6-7,9-10H2,(H,34,35)
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n/an/a 106n/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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50103585
PNG
(CHEMBL3337594)
Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc4OCCN(C)c4c3)c3cccn-23)c1
Show InChI InChI=1S/C26H28N4O3/c1-28-14-15-33-23-8-5-18(16-22(23)28)25(31)29-12-9-26(10-13-29)24-4-3-11-30(24)21-7-6-19(32-2)17-20(21)27-26/h3-8,11,16-17,27H,9-10,12-15H2,1-2H3
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n/an/a 106n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells after 60 mins by FLIPR assay


Bioorg Med Chem Lett 24: 4958-62 (2014)


BindingDB Entry DOI: 10.7270/Q21Z465T
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50103588
PNG
(CHEMBL3337598)
Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3cccc4ncccc34)c3cccn-23)c1
Show InChI InChI=1S/C26H24N4O2/c1-32-18-9-10-23-22(17-18)28-26(24-8-4-14-30(23)24)11-15-29(16-12-26)25(31)20-5-2-7-21-19(20)6-3-13-27-21/h2-10,13-14,17,28H,11-12,15-16H2,1H3
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n/an/a 109n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells after 60 mins by FLIPR assay


Bioorg Med Chem Lett 24: 4958-62 (2014)


BindingDB Entry DOI: 10.7270/Q21Z465T
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50322947
PNG
((2S,3S)-methyl 2-(1-(4-chlorophenyl)-2-(3-fluoroph...)
Show SMILES CC[C@H](C)[C@H](NC(=O)N1CCC2(CC1)C(N(C2=O)c1cccc(F)c1)c1ccc(Cl)cc1)C(=O)OC |r|
Show InChI InChI=1S/C27H31ClFN3O4/c1-4-17(2)22(24(33)36-3)30-26(35)31-14-12-27(13-15-31)23(18-8-10-19(28)11-9-18)32(25(27)34)21-7-5-6-20(29)16-21/h5-11,16-17,22-23H,4,12-15H2,1-3H3,(H,30,35)/t17-,22-,23?/m0/s1
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n/an/a 109n/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
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50373617
PNG
(CHEMBL403689)
Show SMILES CN(CC(=O)Nc1cccc(c1)S(=O)(=O)N(Cc1ccccc1)c1cccc(Cl)c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C30H28ClN3O5S/c1-33(30(36)39-22-24-12-6-3-7-13-24)21-29(35)32-26-15-9-17-28(19-26)40(37,38)34(20-23-10-4-2-5-11-23)27-16-8-14-25(31)18-27/h2-19H,20-22H2,1H3,(H,32,35)
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n/an/a 110n/an/an/an/an/an/a



Bristol-Myers Squibb R& D

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1H T-type calcium channel expressed in HEK293 cells by patch clamp technique


Bioorg Med Chem Lett 18: 474-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.103
BindingDB Entry DOI: 10.7270/Q2C53MQR
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50322963
PNG
((2S,3S)-methyl 2-(1-(4-chlorophenyl)-2-isopropyl-2...)
Show SMILES CC[C@H](C)[C@H](NC(=O)N1CCC2(CN(C(C)C)C2c2ccc(Cl)cc2)CC1)C(=O)OC |r|
Show InChI InChI=1S/C24H36ClN3O3/c1-6-17(4)20(22(29)31-5)26-23(30)27-13-11-24(12-14-27)15-28(16(2)3)21(24)18-7-9-19(25)10-8-18/h7-10,16-17,20-21H,6,11-15H2,1-5H3,(H,26,30)/t17-,20-,21?/m0/s1
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n/an/a 115n/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
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