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Compile Data Set for Download or QSAR

Found 82 hits with Last Name = 'jia' and Initial = 'yp'   
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
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
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
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
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))
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
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))
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))
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
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))
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
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
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
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
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
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))
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
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)
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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)
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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
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 123n/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))
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 124n/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))
BDBM50322965
PNG
(1-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-isopro...)
Show SMILES CC(C)N1CC2(CCN(CC2)C(=O)Nc2cc(F)cc(F)c2)C1c1ccc(Cl)cc1
Show InChI InChI=1S/C23H26ClF2N3O/c1-15(2)29-14-23(21(29)16-3-5-17(24)6-4-16)7-9-28(10-8-23)22(30)27-20-12-18(25)11-19(26)13-20/h3-6,11-13,15,21H,7-10,14H2,1-2H3,(H,27,30)
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n/an/a 138n/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))
BDBM50322929
PNG
(1-(4-chlorophenyl)-2-(3-fluorophenyl)-3-oxo-N-((S)...)
Show SMILES C[C@H](NC(=O)N1CCC2(CC1)C(N(C2=O)c1cccc(F)c1)c1ccc(Cl)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C28H27ClFN3O2/c1-19(20-6-3-2-4-7-20)31-27(35)32-16-14-28(15-17-32)25(21-10-12-22(29)13-11-21)33(26(28)34)24-9-5-8-23(30)18-24/h2-13,18-19,25H,14-17H2,1H3,(H,31,35)/t19-,25?/m0/s1
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n/an/a 139n/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))
BDBM50322960
PNG
((2S,3S)-methyl 2-(1-(4-chlorophenyl)-2-(3-fluoroph...)
Show SMILES CC[C@H](C)[C@H](NC(=O)N1CCC2(CN(C2c2ccc(Cl)cc2)c2cccc(F)c2)CC1)C(=O)OC |r|
Show InChI InChI=1S/C27H33ClFN3O3/c1-4-18(2)23(25(33)35-3)30-26(34)31-14-12-27(13-15-31)17-32(22-7-5-6-21(29)16-22)24(27)19-8-10-20(28)11-9-19/h5-11,16,18,23-24H,4,12-15,17H2,1-3H3,(H,30,34)/t18-,23-,24?/m0/s1
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n/an/a 146n/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))
BDBM50322945
PNG
(CHEMBL1210203 | N-(3,5-difluorophenyl)-1-(4-fluoro...)
Show SMILES CC(C)N1CC2(CCN(CC2)C(=O)Nc2cc(F)cc(F)c2)C1c1ccc(F)cc1
Show InChI InChI=1S/C23H26F3N3O/c1-15(2)29-14-23(21(29)16-3-5-17(24)6-4-16)7-9-28(10-8-23)22(30)27-20-12-18(25)11-19(26)13-20/h3-6,11-13,15,21H,7-10,14H2,1-2H3,(H,27,30)
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n/an/a 172n/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))
BDBM50322964
PNG
(1-(4-chlorophenyl)-N-(3,4-difluorophenyl)-2-isopro...)
Show SMILES CC(C)N1CC2(CCN(CC2)C(=O)Nc2ccc(F)c(F)c2)C1c1ccc(Cl)cc1
Show InChI InChI=1S/C23H26ClF2N3O/c1-15(2)29-14-23(21(29)16-3-5-17(24)6-4-16)9-11-28(12-10-23)22(30)27-18-7-8-19(25)20(26)13-18/h3-8,13,15,21H,9-12,14H2,1-2H3,(H,27,30)
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n/an/a 174n/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))
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 176n/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 176n/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))
BDBM50322955
PNG
(1-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-isobut...)
Show SMILES CC(C)CN1CC2(CCN(CC2)C(=O)Nc2cc(F)cc(F)c2)C1c1ccc(Cl)cc1
Show InChI InChI=1S/C24H28ClF2N3O/c1-16(2)14-30-15-24(22(30)17-3-5-18(25)6-4-17)7-9-29(10-8-24)23(31)28-21-12-19(26)11-20(27)13-21/h3-6,11-13,16,22H,7-10,14-15H2,1-2H3,(H,28,31)
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n/an/a 177n/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))
BDBM50322962
PNG
(1-(4-chlorophenyl)-2-(3-fluorophenyl)-N-((2S,3S)-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)NC |r|
Show InChI InChI=1S/C27H32ClFN4O3/c1-4-17(2)22(24(34)30-3)31-26(36)32-14-12-27(13-15-32)23(18-8-10-19(28)11-9-18)33(25(27)35)21-7-5-6-20(29)16-21/h5-11,16-17,22-23H,4,12-15H2,1-3H3,(H,30,34)(H,31,36)/t17-,22-,23?/m0/s1
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n/an/a 182n/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)
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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))
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 200n/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))
BDBM50322952
PNG
(1-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-methyl...)
Show SMILES CN1CC2(CCN(CC2)C(=O)Nc2cc(F)cc(F)c2)C1c1ccc(Cl)cc1
Show InChI InChI=1S/C21H22ClF2N3O/c1-26-13-21(19(26)14-2-4-15(22)5-3-14)6-8-27(9-7-21)20(28)25-18-11-16(23)10-17(24)12-18/h2-5,10-12,19H,6-9,13H2,1H3,(H,25,28)
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n/an/a 214n/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))
BDBM50322932
PNG
(1-(4-chlorophenyl)-2-(3-fluorophenyl)-3-oxo-N-((S)...)
Show SMILES CC[C@H](NC(=O)N1CCC2(CC1)C(N(C2=O)c1cccc(F)c1)c1ccc(Cl)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C29H29ClFN3O2/c1-2-25(20-7-4-3-5-8-20)32-28(36)33-17-15-29(16-18-33)26(21-11-13-22(30)14-12-21)34(27(29)35)24-10-6-9-23(31)19-24/h3-14,19,25-26H,2,15-18H2,1H3,(H,32,36)/t25-,26?/m0/s1
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n/an/a 224n/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)
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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))
BDBM50322926
PNG
((2S)-methyl 3-tert-butoxy-2-(1-(4-chlorophenyl)-2-...)
Show SMILES COC(=O)[C@H](COC(C)(C)C)NC(=O)N1CCC2(CC1)C(N(C2=O)c1cccc(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H33ClFN3O5/c1-27(2,3)38-17-22(24(34)37-4)31-26(36)32-14-12-28(13-15-32)23(18-8-10-19(29)11-9-18)33(25(28)35)21-7-5-6-20(30)16-21/h5-11,16,22-23H,12-15,17H2,1-4H3,(H,31,36)/t22-,23?/m0/s1
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n/an/a 251n/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))
BDBM50322956
PNG
((2R,3R)-methyl 2-(1-(4-fluorophenyl)-2-isopropyl-2...)
Show SMILES CC[C@H](C)[C@H](NC(=O)N1CCC2(CN(C(C)C)C2c2ccc(F)cc2)CC1)C(=O)OC |r|
Show InChI InChI=1S/C24H36FN3O3/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 256n/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))
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 283n/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))
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 291n/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))
BDBM50322946
PNG
(CHEMBL1210984 | rac-(2S,3S)-methyl 2-(1-(4-chlorop...)
Show SMILES CC[C@H](C)[C@H](NC(=O)N1CCC2(CN(C3CC3)C2c2ccc(Cl)cc2)CC1)C(=O)OC |r|
Show InChI InChI=1S/C24H34ClN3O3/c1-4-16(2)20(22(29)31-3)26-23(30)27-13-11-24(12-14-27)15-28(19-9-10-19)21(24)17-5-7-18(25)8-6-17/h5-8,16,19-21H,4,9-15H2,1-3H3,(H,26,30)/t16-,20-,21?/m0/s1
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n/an/a 325n/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))
BDBM50322965
PNG
(1-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-isopro...)
Show SMILES CC(C)N1CC2(CCN(CC2)C(=O)Nc2cc(F)cc(F)c2)C1c1ccc(Cl)cc1
Show InChI InChI=1S/C23H26ClF2N3O/c1-15(2)29-14-23(21(29)16-3-5-17(24)6-4-16)7-9-28(10-8-23)22(30)27-20-12-18(25)11-19(26)13-20/h3-6,11-13,15,21H,7-10,14H2,1-2H3,(H,27,30)
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n/an/a 328n/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))
BDBM50322964
PNG
(1-(4-chlorophenyl)-N-(3,4-difluorophenyl)-2-isopro...)
Show SMILES CC(C)N1CC2(CCN(CC2)C(=O)Nc2ccc(F)c(F)c2)C1c1ccc(Cl)cc1
Show InChI InChI=1S/C23H26ClF2N3O/c1-15(2)29-14-23(21(29)16-3-5-17(24)6-4-16)9-11-28(12-10-23)22(30)27-18-7-8-19(25)20(26)13-18/h3-8,13,15,21H,9-12,14H2,1-2H3,(H,27,30)
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n/an/a 340n/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))
BDBM50322930
PNG
(1-(4-chlorophenyl)-2-(3-fluorophenyl)-3-oxo-N-((R)...)
Show SMILES C[C@@H](NC(=O)N1CCC2(CC1)C(N(C2=O)c1cccc(F)c1)c1ccc(Cl)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C28H27ClFN3O2/c1-19(20-6-3-2-4-7-20)31-27(35)32-16-14-28(15-17-32)25(21-10-12-22(29)13-11-21)33(26(28)34)24-9-5-8-23(30)18-24/h2-13,18-19,25H,14-17H2,1H3,(H,31,35)/t19-,25?/m1/s1
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n/an/a 351n/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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