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Compile Data Set for Download or QSAR

Found 138 hits Enz. Inhib. hit(s) with all data for entry = 50031715   
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 L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317833
PNG
(3-methyl 5-(3-phenylbutyl)2,6-dimethyl-4-(3-nitrop...)
Show SMILES COC(=O)C1C(C(C(=O)OCCC(C)c2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:23,t:20|
Show InChI InChI=1S/C26H28N2O6/c1-16(19-9-6-5-7-10-19)13-14-34-26(30)23-18(3)27-17(2)22(25(29)33-4)24(23)20-11-8-12-21(15-20)28(31)32/h5-12,15-16,22,24H,13-14H2,1-4H3
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n/an/a 6n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317821
PNG
(3-(3,4-difluorobenzyl)5-methyl 2,6-dimethyl-4-(3-n...)
Show SMILES COC(=O)C1C(C(C(=O)OCc2ccc(F)c(F)c2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:22,t:19|
Show InChI InChI=1S/C23H20F2N2O6/c1-12-19(22(28)32-3)21(15-5-4-6-16(10-15)27(30)31)20(13(2)26-12)23(29)33-11-14-7-8-17(24)18(25)9-14/h4-10,19,21H,11H2,1-3H3
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n/an/a 7n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317775
PNG
(CHEMBL1099222 | diethyl 2,6-dimethyl-4-(2-(methylt...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCC)=C(C)N=C1C)c1ccccc1SC |c:15,t:12|
Show InChI InChI=1S/C20H25NO4S/c1-6-24-19(22)16-12(3)21-13(4)17(20(23)25-7-2)18(16)14-10-8-9-11-15(14)26-5/h8-11,16,18H,6-7H2,1-5H3
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n/an/a 8n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317776
PNG
(CHEMBL1086836 | dimethyl 2,6-dimethyl-4-(2-(methyl...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1SC |c:13,t:10|
Show InChI InChI=1S/C18H21NO4S/c1-10-14(17(20)22-3)16(12-8-6-7-9-13(12)24-5)15(11(2)19-10)18(21)23-4/h6-9,14,16H,1-5H3
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n/an/a 8n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317802
PNG
(3-allyl 5-methyl 2,6-dimethyl-4-(2-nitrophenyl)-1,...)
Show SMILES COC(=O)C1C(C(C(=O)OCC=C)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:15,t:12|
Show InChI InChI=1S/C19H20N2O6/c1-5-10-27-19(23)16-12(3)20-11(2)15(18(22)26-4)17(16)13-8-6-7-9-14(13)21(24)25/h5-9,15,17H,1,10H2,2-4H3
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n/an/a 8n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317831
PNG
(3-(4-chlorophenethyl)5-methyl 2,6-dimethyl-4-(3-ni...)
Show SMILES COC(=O)C1C(C(C(=O)OCCc2ccc(Cl)cc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:22,t:19|
Show InChI InChI=1S/C24H23ClN2O6/c1-14-20(23(28)32-3)22(17-5-4-6-19(13-17)27(30)31)21(15(2)26-14)24(29)33-12-11-16-7-9-18(25)10-8-16/h4-10,13,20,22H,11-12H2,1-3H3
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n/an/a 8n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317835
PNG
(3-(2-(benzyloxy)ethyl)5-methyl 2,6-dimethyl-4-(3-n...)
Show SMILES COC(=O)C1C(C(C(=O)OCCOCc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:23,t:20|
Show InChI InChI=1S/C25H26N2O7/c1-16-21(24(28)32-3)23(19-10-7-11-20(14-19)27(30)31)22(17(2)26-16)25(29)34-13-12-33-15-18-8-5-4-6-9-18/h4-11,14,21,23H,12-13,15H2,1-3H3
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n/an/a 9n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317836
PNG
(3-methyl 5-(3-phenoxypropyl)2,6-dimethyl-4-(3-nitr...)
Show SMILES COC(=O)C1C(C(C(=O)OCCCOc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:23,t:20|
Show InChI InChI=1S/C25H26N2O7/c1-16-21(24(28)32-3)23(18-9-7-10-19(15-18)27(30)31)22(17(2)26-16)25(29)34-14-8-13-33-20-11-5-4-6-12-20/h4-7,9-12,15,21,23H,8,13-14H2,1-3H3
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n/an/a 9n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)		BDBM50317802
PNG
(3-allyl 5-methyl 2,6-dimethyl-4-(2-nitrophenyl)-1,...)
Show SMILES COC(=O)C1C(C(C(=O)OCC=C)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:15,t:12|
Show InChI InChI=1S/C19H20N2O6/c1-5-10-27-19(23)16-12(3)20-11(2)15(18(22)26-4)17(16)13-8-6-7-9-14(13)21(24)25/h5-9,15,17H,1,10H2,2-4H3
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n/an/a 10n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)		BDBM50317813
PNG
(3-ethyl 5-(2-(methacryloyloxy)ethyl)2,6-dimethyl-4...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCCOC(=O)C(C)=C)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:21,t:18|
Show InChI InChI=1S/C23H26N2O8/c1-6-31-22(27)18-14(4)24-15(5)19(23(28)33-11-10-32-21(26)13(2)3)20(18)16-8-7-9-17(12-16)25(29)30/h7-9,12,18,20H,2,6,10-11H2,1,3-5H3
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n/an/a 10n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)		BDBM50317817
PNG
(3-cyclohex-2-enyl 5-methyl 2,6-dimethyl-4-(3-nitro...)
Show SMILES COC(=O)C1C(C(C(=O)OC2CCCC=C2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:14,19,t:16|
Show InChI InChI=1S/C22H24N2O6/c1-13-18(21(25)29-3)20(15-8-7-9-16(12-15)24(27)28)19(14(2)23-13)22(26)30-17-10-5-4-6-11-17/h5,7-10,12,17-18,20H,4,6,11H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)		BDBM50317840
PNG
(CHEMBL1099188 | diethyl 4-(2,3-difluorophenyl)-2,6...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCC)=C(C)N=C1C)c1cccc(F)c1F |c:15,t:12|
Show InChI InChI=1S/C19H21F2NO4/c1-5-25-18(23)14-10(3)22-11(4)15(19(24)26-6-2)16(14)12-8-7-9-13(20)17(12)21/h7-9,14,16H,5-6H2,1-4H3
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n/an/a 10n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317793
PNG
(CHEMBL1094406 | diethyl 2-(chloromethyl)-6-methyl-...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCC)=C(CCl)N=C1C)c1cccc(c1)[N+]([O-])=O |c:16,t:12|
Show InChI InChI=1S/C19H21ClN2O6/c1-4-27-18(23)15-11(3)21-14(10-20)17(19(24)28-5-2)16(15)12-7-6-8-13(9-12)22(25)26/h6-9,15-16H,4-5,10H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317794
PNG
(CHEMBL1094740 | diethyl 2-(acetoxymethyl)-6-methyl...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCC)=C(COC(C)=O)N=C1C)c1cccc(c1)[N+]([O-])=O |c:19,t:12|
Show InChI InChI=1S/C21H24N2O8/c1-5-29-20(25)17-12(3)22-16(11-31-13(4)24)19(21(26)30-6-2)18(17)14-8-7-9-15(10-14)23(27)28/h7-10,17-18H,5-6,11H2,1-4H3
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n/an/a 10n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317813
PNG
(3-ethyl 5-(2-(methacryloyloxy)ethyl)2,6-dimethyl-4...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCCOC(=O)C(C)=C)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:21,t:18|
Show InChI InChI=1S/C23H26N2O8/c1-6-31-22(27)18-14(4)24-15(5)19(23(28)33-11-10-32-21(26)13(2)3)20(18)16-8-7-9-17(12-16)25(29)30/h7-9,12,18,20H,2,6,10-11H2,1,3-5H3
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n/an/a 10n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317817
PNG
(3-cyclohex-2-enyl 5-methyl 2,6-dimethyl-4-(3-nitro...)
Show SMILES COC(=O)C1C(C(C(=O)OC2CCCC=C2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:14,19,t:16|
Show InChI InChI=1S/C22H24N2O6/c1-13-18(21(25)29-3)20(15-8-7-9-16(12-15)24(27)28)19(14(2)23-13)22(26)30-17-10-5-4-6-11-17/h5,7-10,12,17-18,20H,4,6,11H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317822
PNG
(3-methyl 5-(2,4,6-trichlorobenzyl)2,6-dimethyl-4-(...)
Show SMILES COC(=O)C1C(C(C(=O)OCc2c(Cl)cc(Cl)cc2Cl)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:23,t:20|
Show InChI InChI=1S/C23H19Cl3N2O6/c1-11-19(22(29)33-3)21(13-5-4-6-15(7-13)28(31)32)20(12(2)27-11)23(30)34-10-16-17(25)8-14(24)9-18(16)26/h4-9,19,21H,10H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317832
PNG
(3-methyl 5-(4-phenylbutyl)2,6-dimethyl-4-(3-nitrop...)
Show SMILES COC(=O)C1C(C(C(=O)OCCCCc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:23,t:20|
Show InChI InChI=1S/C26H28N2O6/c1-17-22(25(29)33-3)24(20-13-9-14-21(16-20)28(31)32)23(18(2)27-17)26(30)34-15-8-7-12-19-10-5-4-6-11-19/h4-6,9-11,13-14,16,22,24H,7-8,12,15H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)		BDBM50317833
PNG
(3-methyl 5-(3-phenylbutyl)2,6-dimethyl-4-(3-nitrop...)
Show SMILES COC(=O)C1C(C(C(=O)OCCC(C)c2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:23,t:20|
Show InChI InChI=1S/C26H28N2O6/c1-16(19-9-6-5-7-10-19)13-14-34-26(30)23-18(3)27-17(2)22(25(29)33-4)24(23)20-11-8-12-21(15-20)28(31)32/h5-12,15-16,22,24H,13-14H2,1-4H3
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n/an/a 11n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)		BDBM50317836
PNG
(3-methyl 5-(3-phenoxypropyl)2,6-dimethyl-4-(3-nitr...)
Show SMILES COC(=O)C1C(C(C(=O)OCCCOc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:23,t:20|
Show InChI InChI=1S/C25H26N2O7/c1-16-21(24(28)32-3)23(18-9-7-10-19(15-18)27(30)31)22(17(2)26-16)25(29)34-14-8-13-33-20-11-5-4-6-12-20/h4-7,9-12,15,21,23H,8,13-14H2,1-3H3
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n/an/a 11n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)		BDBM50317835
PNG
(3-(2-(benzyloxy)ethyl)5-methyl 2,6-dimethyl-4-(3-n...)
Show SMILES COC(=O)C1C(C(C(=O)OCCOCc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:23,t:20|
Show InChI InChI=1S/C25H26N2O7/c1-16-21(24(28)32-3)23(19-10-7-11-20(14-19)27(30)31)22(17(2)26-16)25(29)34-13-12-33-15-18-8-5-4-6-9-18/h4-11,14,21,23H,12-13,15H2,1-3H3
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n/an/a 12n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317825
PNG
(3-benzo[d][1,3]dioxol-5-ylmethyl 5-methyl 2,6-dime...)
Show SMILES COC(=O)C1C(C(C(=O)OCc2ccc3OCOc3c2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:24,t:21|
Show InChI InChI=1S/C24H22N2O8/c1-13-20(23(27)31-3)22(16-5-4-6-17(10-16)26(29)30)21(14(2)25-13)24(28)32-11-15-7-8-18-19(9-15)34-12-33-18/h4-10,20,22H,11-12H2,1-3H3
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n/an/a 13n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317790
PNG
(3-ethyl 5-methyl 6-(methoxymethyl)-2-methyl-4-(3-n...)
Show SMILES CCOC(=O)C1C(C(C(=O)OC)=C(COC)N=C1C)c1cccc(c1)[N+]([O-])=O |c:16,t:11|
Show InChI InChI=1S/C19H22N2O7/c1-5-28-19(23)15-11(2)20-14(10-26-3)17(18(22)27-4)16(15)12-7-6-8-13(9-12)21(24)25/h6-9,15-16H,5,10H2,1-4H3
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n/an/a 14n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)		BDBM50317803
PNG
(3-allyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,...)
Show SMILES COC(=O)C1C(C(C(=O)OCC=C)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:15,t:12|
Show InChI InChI=1S/C19H20N2O6/c1-5-9-27-19(23)16-12(3)20-11(2)15(18(22)26-4)17(16)13-7-6-8-14(10-13)21(24)25/h5-8,10,15,17H,1,9H2,2-4H3
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n/an/a 15n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)		BDBM50317804
PNG
(3-allyl 5-ethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCC=C)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:16,t:13|
Show InChI InChI=1S/C20H22N2O6/c1-5-10-28-20(24)17-13(4)21-12(3)16(19(23)27-6-2)18(17)14-8-7-9-15(11-14)22(25)26/h5,7-9,11,16,18H,1,6,10H2,2-4H3
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n/an/a 15n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)		BDBM50317815
PNG
(3-benzyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1...)
Show SMILES COC(=O)C1C(C(C(=O)OCc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:20,t:17|
Show InChI InChI=1S/C23H22N2O6/c1-14-19(22(26)30-3)21(17-10-7-11-18(12-17)25(28)29)20(15(2)24-14)23(27)31-13-16-8-5-4-6-9-16/h4-12,19,21H,13H2,1-3H3
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n/an/a 15n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)		BDBM50317826
PNG
(3-furan-2-ylmethyl 5-methyl 2,6-dimethyl-4-(3-nitr...)
Show SMILES COC(=O)C1C(C(C(=O)OCc2ccco2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:19,t:16|
Show InChI InChI=1S/C21H20N2O7/c1-12-17(20(24)28-3)19(14-6-4-7-15(10-14)23(26)27)18(13(2)22-12)21(25)30-11-16-8-5-9-29-16/h4-10,17,19H,11H2,1-3H3
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n/an/a 15n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)		BDBM50317775
PNG
(CHEMBL1099222 | diethyl 2,6-dimethyl-4-(2-(methylt...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCC)=C(C)N=C1C)c1ccccc1SC |c:15,t:12|
Show InChI InChI=1S/C20H25NO4S/c1-6-24-19(22)16-12(3)21-13(4)17(20(23)25-7-2)18(16)14-10-8-9-11-15(14)26-5/h8-11,16,18H,6-7H2,1-5H3
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n/an/a 15n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317803
PNG
(3-allyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,...)
Show SMILES COC(=O)C1C(C(C(=O)OCC=C)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:15,t:12|
Show InChI InChI=1S/C19H20N2O6/c1-5-9-27-19(23)16-12(3)20-11(2)15(18(22)26-4)17(16)13-7-6-8-14(10-13)21(24)25/h5-8,10,15,17H,1,9H2,2-4H3
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n/an/a 15n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317840
PNG
(CHEMBL1099188 | diethyl 4-(2,3-difluorophenyl)-2,6...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCC)=C(C)N=C1C)c1cccc(F)c1F |c:15,t:12|
Show InChI InChI=1S/C19H21F2NO4/c1-5-25-18(23)14-10(3)22-11(4)15(19(24)26-6-2)16(14)12-8-7-9-13(20)17(12)21/h7-9,14,16H,5-6H2,1-4H3
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n/an/a 15n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317808
PNG
(3-ethyl 5-(2-methoxyethyl)2,6-dimethyl-4-(3-nitrop...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCCOC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:17,t:14|
Show InChI InChI=1S/C20H24N2O7/c1-5-28-19(23)16-12(2)21-13(3)17(20(24)29-10-9-27-4)18(16)14-7-6-8-15(11-14)22(25)26/h6-8,11,16,18H,5,9-10H2,1-4H3
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n/an/a 16n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317810
PNG
(3-methyl 5-(2,2,2-trifluoroethyl)2,6-dimethyl-4-(3...)
Show SMILES COC(=O)C1C(C(C(=O)OCC(F)(F)F)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:17,t:14|
Show InChI InChI=1S/C18H17F3N2O6/c1-9-13(16(24)28-3)15(11-5-4-6-12(7-11)23(26)27)14(10(2)22-9)17(25)29-8-18(19,20)21/h4-7,13,15H,8H2,1-3H3
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n/an/a 16n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317834
PNG
(3-(4-(4-methoxyphenyl)butyl)5-methyl 2,6-dimethyl-...)
Show SMILES COC(=O)C1C(C(C(=O)OCCCCc2ccc(OC)cc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:25,t:22|
Show InChI InChI=1S/C27H30N2O7/c1-17-23(26(30)35-4)25(20-9-7-10-21(16-20)29(32)33)24(18(2)28-17)27(31)36-15-6-5-8-19-11-13-22(34-3)14-12-19/h7,9-14,16,23,25H,5-6,8,15H2,1-4H3
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n/an/a 17n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317787
PNG
(CHEMBL1096376 | diethyl 2-methyl-4-(3-nitrophenyl)...)
Show SMILES CCCC1=C(C(C(C(=O)OCC)C(C)=N1)c1cccc(c1)[N+]([O-])=O)C(=O)OCC |c:13,t:3|
Show InChI InChI=1S/C21H26N2O6/c1-5-9-16-19(21(25)29-7-3)18(14-10-8-11-15(12-14)23(26)27)17(13(4)22-16)20(24)28-6-2/h8,10-12,17-18H,5-7,9H2,1-4H3
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n/an/a 18n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317829
PNG
(3-(2-(2-chlorophenoxy)ethyl)5-methyl 2,6-dimethyl-...)
Show SMILES COC(=O)C1C(C(C(=O)OCCOc2ccccc2Cl)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:23,t:20|
Show InChI InChI=1S/C24H23ClN2O7/c1-14-20(23(28)32-3)22(16-7-6-8-17(13-16)27(30)31)21(15(2)26-14)24(29)34-12-11-33-19-10-5-4-9-18(19)25/h4-10,13,20,22H,11-12H2,1-3H3
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n/an/a 19n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)		BDBM50317788
PNG
(CHEMBL1094989 | diethyl 2-butyl-6-methyl-4-(3-nitr...)
Show SMILES CCCCC1=C(C(C(C(=O)OCC)C(C)=N1)c1cccc(c1)[N+]([O-])=O)C(=O)OCC |c:14,t:4|
Show InChI InChI=1S/C22H28N2O6/c1-5-8-12-17-20(22(26)30-7-3)19(15-10-9-11-16(13-15)24(27)28)18(14(4)23-17)21(25)29-6-2/h9-11,13,18-19H,5-8,12H2,1-4H3
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n/an/a 20n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)		BDBM50317821
PNG
(3-(3,4-difluorobenzyl)5-methyl 2,6-dimethyl-4-(3-n...)
Show SMILES COC(=O)C1C(C(C(=O)OCc2ccc(F)c(F)c2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:22,t:19|
Show InChI InChI=1S/C23H20F2N2O6/c1-12-19(22(28)32-3)21(15-5-4-6-16(10-15)27(30)31)20(13(2)26-12)23(29)33-11-14-7-8-17(24)18(25)9-14/h4-10,19,21H,11H2,1-3H3
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n/an/a 20n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317788
PNG
(CHEMBL1094989 | diethyl 2-butyl-6-methyl-4-(3-nitr...)
Show SMILES CCCCC1=C(C(C(C(=O)OCC)C(C)=N1)c1cccc(c1)[N+]([O-])=O)C(=O)OCC |c:14,t:4|
Show InChI InChI=1S/C22H28N2O6/c1-5-8-12-17-20(22(26)30-7-3)19(15-10-9-11-16(13-15)24(27)28)18(14(4)23-17)21(25)29-6-2/h9-11,13,18-19H,5-8,12H2,1-4H3
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n/an/a 20n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317826
PNG
(3-furan-2-ylmethyl 5-methyl 2,6-dimethyl-4-(3-nitr...)
Show SMILES COC(=O)C1C(C(C(=O)OCc2ccco2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:19,t:16|
Show InChI InChI=1S/C21H20N2O7/c1-12-17(20(24)28-3)19(14-6-4-7-15(10-14)23(26)27)18(13(2)22-12)21(25)30-11-16-8-5-9-29-16/h4-10,17,19H,11H2,1-3H3
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n/an/a 20n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317841
PNG
(CHEMBL1094352 | diethyl 4-(2,4-difluorophenyl)-2,6...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCC)=C(C)N=C1C)c1ccc(F)cc1F |c:15,t:12|
Show InChI InChI=1S/C19H21F2NO4/c1-5-25-18(23)15-10(3)22-11(4)16(19(24)26-6-2)17(15)13-8-7-12(20)9-14(13)21/h7-9,15,17H,5-6H2,1-4H3
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n/an/a 20n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)		BDBM50317807
PNG
(3-cyclopropylmethyl 5-methyl 2,6-dimethyl-4-(3-nit...)
Show SMILES COC(=O)C1C(C(C(=O)OCC2CC2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:17,t:14|
Show InChI InChI=1S/C20H22N2O6/c1-11-16(19(23)27-3)18(14-5-4-6-15(9-14)22(25)26)17(12(2)21-11)20(24)28-10-13-7-8-13/h4-6,9,13,16,18H,7-8,10H2,1-3H3
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n/an/a 21n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)		BDBM50317810
PNG
(3-methyl 5-(2,2,2-trifluoroethyl)2,6-dimethyl-4-(3...)
Show SMILES COC(=O)C1C(C(C(=O)OCC(F)(F)F)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:17,t:14|
Show InChI InChI=1S/C18H17F3N2O6/c1-9-13(16(24)28-3)15(11-5-4-6-12(7-11)23(26)27)14(10(2)22-9)17(25)29-8-18(19,20)21/h4-7,13,15H,8H2,1-3H3
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n/an/a 21n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)		BDBM50317809
PNG
(3-(2-chloroethyl)5-methyl 2,6-dimethyl-4-(3-nitrop...)
Show SMILES COC(=O)C1C(C(C(=O)OCCCl)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:15,t:12|
Show InChI InChI=1S/C18H19ClN2O6/c1-10-14(17(22)26-3)16(12-5-4-6-13(9-12)21(24)25)15(11(2)20-10)18(23)27-8-7-19/h4-6,9,14,16H,7-8H2,1-3H3
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n/an/a 22n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)		BDBM50317825
PNG
(3-benzo[d][1,3]dioxol-5-ylmethyl 5-methyl 2,6-dime...)
Show SMILES COC(=O)C1C(C(C(=O)OCc2ccc3OCOc3c2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:24,t:21|
Show InChI InChI=1S/C24H22N2O8/c1-13-20(23(27)31-3)22(16-5-4-6-17(10-16)26(29)30)21(14(2)25-13)24(28)32-11-15-7-8-18-19(9-15)34-12-33-18/h4-10,20,22H,11-12H2,1-3H3
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n/an/a 22n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317798
PNG
(CHEMBL1098064 | diethyl 2-(2-cyanovinyl)-6-methyl-...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCC)=C(C=CC#N)N=C1C)c1cccc(c1)[N+]([O-])=O |w:14.13,c:18,t:12|
Show InChI InChI=1S/C21H21N3O6/c1-4-29-20(25)17-13(3)23-16(10-7-11-22)19(21(26)30-5-2)18(17)14-8-6-9-15(12-14)24(27)28/h6-10,12,17-18H,4-5H2,1-3H3
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n/an/a 22n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317820
PNG
(3-(3-fluorobenzyl)5-methyl 2,6-dimethyl-4-(3-nitro...)
Show SMILES COC(=O)C1C(C(C(=O)OCc2cccc(F)c2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:21,t:18|
Show InChI InChI=1S/C23H21FN2O6/c1-13-19(22(27)31-3)21(16-7-5-9-18(11-16)26(29)30)20(14(2)25-13)23(28)32-12-15-6-4-8-17(24)10-15/h4-11,19,21H,12H2,1-3H3
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n/an/a 22n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)		BDBM50317827
PNG
(3-methyl 5-thiophen-2-ylmethyl 2,6-dimethyl-4-(3-n...)
Show SMILES COC(=O)C1C(C(C(=O)OCc2cccs2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:19,t:16|
Show InChI InChI=1S/C21H20N2O6S/c1-12-17(20(24)28-3)19(14-6-4-7-15(10-14)23(26)27)18(13(2)22-12)21(25)29-11-16-8-5-9-30-16/h4-10,17,19H,11H2,1-3H3
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n/an/a 23n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317806
PNG
(3-methyl 5-(3-methylbut-3-enyl)2,6-dimethyl-4-(3-n...)
Show SMILES COC(=O)C1C(C(C(=O)OCCC(C)=C)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:17,t:14|
Show InChI InChI=1S/C21H24N2O6/c1-12(2)9-10-29-21(25)18-14(4)22-13(3)17(20(24)28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11,17,19H,1,9-10H2,2-5H3
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n/an/a 23n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317804
PNG
(3-allyl 5-ethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCC=C)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:16,t:13|
Show InChI InChI=1S/C20H22N2O6/c1-5-10-28-20(24)17-13(4)21-12(3)16(19(23)27-6-2)18(17)14-8-7-9-15(11-14)22(25)26/h5,7-9,11,16,18H,1,6,10H2,2-4H3
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n/an/a 25n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317815
PNG
(3-benzyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1...)
Show SMILES COC(=O)C1C(C(C(=O)OCc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:20,t:17|
Show InChI InChI=1S/C23H22N2O6/c1-14-19(22(26)30-3)21(17-10-7-11-18(12-17)25(28)29)20(15(2)24-14)23(27)31-13-16-8-5-4-6-9-16/h4-12,19,21H,13H2,1-3H3
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n/an/a 25n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
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