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PubChem AID 493021

Compile data set for download or QSAR
Found 17 hits of Enzyme Inhibition Constant Data   
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))		BDBM77356
PNG
(3-amino-6-benzyl-N-(2-fluorophenyl)-4-(trifluorome...)
Show SMILES Nc1c(sc2nc(Cc3ccccc3)cc(c12)C(F)(F)F)C(=O)Nc1ccccc1F
Show InChI InChI=1S/C22H15F4N3OS/c23-15-8-4-5-9-16(15)29-20(30)19-18(27)17-14(22(24,25)26)11-13(28-21(17)31-19)10-12-6-2-1-3-7-12/h1-9,11H,10,27H2,(H,29,30)
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n/an/an/an/a 1.90E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q29885H0
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM55409
PNG
(2-phenoxy-N-(5-tetralin-6-yl-1,3,4-oxadiazol-2-yl)...)
Show SMILES O=C(COc1ccccc1)Nc1nnc(o1)-c1ccc2CCCCc2c1
Show InChI InChI=1S/C20H19N3O3/c24-18(13-25-17-8-2-1-3-9-17)21-20-23-22-19(26-20)16-11-10-14-6-4-5-7-15(14)12-16/h1-3,8-12H,4-7,13H2,(H,21,23,24)
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n/an/an/an/a 2.51E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q29885H0
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM77247
PNG
(MLS000520083 | SMR000130497 | [4-(5-chloranyl-2-me...)
Show SMILES Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)C1(CC1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H22Cl2N2O3S/c1-15-2-3-17(23)14-19(15)24-10-12-25(13-11-24)20(26)21(8-9-21)29(27,28)18-6-4-16(22)5-7-18/h2-7,14H,8-13H2,1H3
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n/an/an/an/a 5.26E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q29885H0
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM77448
PNG
(2-[(5-chloranylthiophen-2-yl)sulfonylamino]-N-phen...)
Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1
Show InChI InChI=1S/C17H13ClN2O3S2/c18-15-10-11-16(24-15)25(22,23)20-14-9-5-4-8-13(14)17(21)19-12-6-2-1-3-7-12/h1-11,20H,(H,19,21)
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n/an/an/an/a 808n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q29885H0
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM36879
PNG
(4-[3-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-5-yl]-pipe...)
Show SMILES Fc1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H18F4N4O2/c22-16-6-4-13(5-7-16)18-27-19(31-28-18)14-8-10-29(11-9-14)20(30)26-17-3-1-2-15(12-17)21(23,24)25/h1-7,12,14H,8-11H2,(H,26,30)
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n/an/an/an/a 2.46E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q29885H0
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM48386
PNG
(1-{3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pro...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C23H23F3N4O3/c1-32-19-7-5-16(6-8-19)22-27-20(33-28-22)9-10-21(31)30-13-11-29(12-14-30)18-4-2-3-17(15-18)23(24,25)26/h2-8,15H,9-14H2,1H3
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n/an/an/an/a 4.32E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q29885H0
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM53772
PNG
(2-[(2-{[(2-fluorophenyl)sulfonyl]amino}phenyl)sulf...)
Show SMILES Fc1ccccc1S(=O)(=O)Nc1ccccc1SCC(=O)Nc1nnc(s1)C(F)(F)F
Show InChI InChI=1S/C17H12F4N4O3S3/c18-10-5-1-4-8-13(10)31(27,28)25-11-6-2-3-7-12(11)29-9-14(26)22-16-24-23-15(30-16)17(19,20)21/h1-8,25H,9H2,(H,22,24,26)
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n/an/an/an/a 1.22E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q29885H0
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM76842
PNG
(2-[4-(5-Fluoro-benzotriazol-1-yl)-piperidin-1-yl]-...)
Show SMILES Fc1ccc2n(nnc2c1)C1CCN(CC(=O)Nc2ccc3CCCc3c2)CC1
Show InChI InChI=1S/C22H24FN5O/c23-17-5-7-21-20(13-17)25-26-28(21)19-8-10-27(11-9-19)14-22(29)24-18-6-4-15-2-1-3-16(15)12-18/h4-7,12-13,19H,1-3,8-11,14H2,(H,24,29)
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n/an/an/an/a 6.67E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q29885H0
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM32776
PNG
(4-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benz...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cs1)-c1cccs1
Show InChI InChI=1S/C15H12N2O2S2/c1-19-11-6-4-10(5-7-11)14(18)17-15-16-12(9-21-15)13-3-2-8-20-13/h2-9H,1H3,(H,16,17,18)
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n/an/an/an/a 1.10E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q29885H0
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM77103
PNG
(1-Benzhydryl-4-(1-tert-butyl-1H-tetrazol-5-ylmethy...)
Show SMILES CC(C)(C)n1nnnc1CN1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H30N6/c1-23(2,3)29-21(24-25-26-29)18-27-14-16-28(17-15-27)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,22H,14-18H2,1-3H3
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n/an/an/an/a 7.64E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q29885H0
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM76864
PNG
(1-[(2,4-dichlorophenyl)methyl]-N-(2-furanylmethyl)...)
Show SMILES Clc1ccc(Cn2ncc3c(NCc4ccco4)ncnc23)c(Cl)c1
Show InChI InChI=1S/C17H13Cl2N5O/c18-12-4-3-11(15(19)6-12)9-24-17-14(8-23-24)16(21-10-22-17)20-7-13-2-1-5-25-13/h1-6,8,10H,7,9H2,(H,20,21,22)
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n/an/an/an/a 9.50E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q29885H0
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM37138
PNG
(6-(4-methyl-1-piperazinyl)-2-(8-methyl-5-quinoliny...)
Show SMILES CN1CCN(CC1)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1ccc(C)c2ncccc12
Show InChI InChI=1S/C27H24N4O2/c1-17-8-10-23(19-7-4-12-28-25(17)19)31-26(32)20-6-3-5-18-22(30-15-13-29(2)14-16-30)11-9-21(24(18)20)27(31)33/h3-12H,13-16H2,1-2H3
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n/an/an/an/a 4.62E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q29885H0
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM77373
PNG
(6-bromanyl-1,5,5-trimethyl-N-(3-methylphenyl)bicyc...)
Show SMILES Cc1cccc(NC(=O)C23CCC(C)(C2Br)C3(C)C)c1
Show InChI InChI=1S/C17H22BrNO/c1-11-6-5-7-12(10-11)19-14(20)17-9-8-16(4,13(17)18)15(17,2)3/h5-7,10,13H,8-9H2,1-4H3,(H,19,20)
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n/an/an/an/a 5.25E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q29885H0
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM30843
PNG
(1-[[2-(4-ethylphenyl)-5-methyl-oxazol-4-yl]methyl]...)
Show SMILES CCc1ccc(cc1)-c1nc(CN2CCCC(C2)C(=O)NCCc2ccc(OC)c(OC)c2)c(C)o1
Show InChI InChI=1S/C29H37N3O4/c1-5-21-8-11-23(12-9-21)29-31-25(20(2)36-29)19-32-16-6-7-24(18-32)28(33)30-15-14-22-10-13-26(34-3)27(17-22)35-4/h8-13,17,24H,5-7,14-16,18-19H2,1-4H3,(H,30,33)
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n/an/an/an/a 3.95E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q29885H0
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM62892
PNG
(2-[7-Oxo-7-(3-phenyl-pyrrolidin-1-yl)-heptyl]-isoi...)
Show SMILES O=C(CCCCCCN1C(=O)c2ccccc2C1=O)N1CCC(C1)c1ccccc1
Show InChI InChI=1S/C25H28N2O3/c28-23(26-17-15-20(18-26)19-10-4-3-5-11-19)14-6-1-2-9-16-27-24(29)21-12-7-8-13-22(21)25(27)30/h3-5,7-8,10-13,20H,1-2,6,9,14-18H2
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n/an/an/an/a 1.81E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q29885H0
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM66106
PNG
(7-(diethylamino)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)...)
Show SMILES CCN(CC)c1ccc2cc(-c3nnc(o3)-c3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C21H19N3O3/c1-3-24(4-2)16-11-10-15-12-17(21(25)26-18(15)13-16)20-23-22-19(27-20)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3
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n/an/an/an/a 3.19E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q29885H0
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM77127
PNG
(1-N-benzyl-4-N-cyclopentyl-4-N-(pyridin-2-ylmethyl...)
Show SMILES O=S(=O)(NCc1ccccc1)c1ccc(cc1)S(=O)(=O)N(Cc1ccccn1)C1CCCC1
Show InChI InChI=1S/C24H27N3O4S2/c28-32(29,26-18-20-8-2-1-3-9-20)23-13-15-24(16-14-23)33(30,31)27(22-11-4-5-12-22)19-21-10-6-7-17-25-21/h1-3,6-10,13-17,22,26H,4-5,11-12,18-19H2
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n/an/an/an/a 2.35E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q29885H0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%