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Compile Data Set for Download or QSAR

Found 152 hits Enz. Inhib. hit(s) with Target = 'Cav1.3/Cav beta3/Cav alpha2delta complex'   
Target
(Institution)
LigandTarget
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
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50029417
PNG
(CHEMBL277363 | [4-(4-Methoxy-phenyl)-4H-benzo[b]py...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2-n2c(CN(C)C)ccc12
Show InChI InChI=1S/C21H22N2OS/c1-22(2)14-16-10-13-19-21(15-8-11-17(24-3)12-9-15)25-20-7-5-4-6-18(20)23(16)19/h4-13,21H,14H2,1-3H3
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n/an/a 0.430n/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type [Ca2+] channel in rat cortex homogenate, activity expressed as pIC50


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50422202
PNG
(CHEMBL24662)
Show SMILES O=C1CC[C@H]2[C@@H](Sc3ccccc3N12)c1ccccc1
Show InChI InChI=1S/C17H15NOS/c19-16-11-10-14-17(12-6-2-1-3-7-12)20-15-9-5-4-8-13(15)18(14)16/h1-9,14,17H,10-11H2/t14-,17-/m0/s1
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n/an/a 0.780n/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type [Ca2+] channel in rat cortex homogenate, activity expressed as pIC50


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50018796
PNG
(2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES COC([O-])=C1C(C(C(=[OH+])OC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-6-5-7-12(8-11)19(22)23/h5-8,15,20H,1-4H3
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n/an/a 2.60n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibitory concentration for L-type [Ca2+] channels was measured through displacement of [3H]nitrendipine on rat cortex homogenates.


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50336640
PNG
((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,13,15H,1-4H3
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n/an/a 2.70n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibitory concentration for L-type [Ca2+] channels was measured through displacement of [3H]nitrendipine on rat cortex homogenates.


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50422200
PNG
(CHEMBL278804)
Show SMILES COc1ccc(cc1)[C@@H]1Sc2ccc(Cl)cc2-n2c(CN(C)C)ccc2[C@@H]1OC(C)=O
Show InChI InChI=1S/C24H25ClN2O3S/c1-15(28)30-23-20-11-8-18(14-26(2)3)27(20)21-13-17(25)7-12-22(21)31-24(23)16-5-9-19(29-4)10-6-16/h5-13,23-24H,14H2,1-4H3/t23-,24-/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type [Ca2+] channel in rat cortex homogenate, activity expressed as pIC50


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50422196
PNG
(CHEMBL25512)
Show SMILES COc1ccc(cc1)[C@@H]1Sc2ccccc2N2[C@H]1CCC2=O
Show InChI InChI=1S/C18H17NO2S/c1-21-13-8-6-12(7-9-13)18-15-10-11-17(20)19(15)14-4-2-3-5-16(14)22-18/h2-9,15,18H,10-11H2,1H3/t15-,18-/m0/s1
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n/an/a 4.40n/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type [Ca2+] channel in rat cortex homogenate, activity expressed as pIC50


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50072809
PNG
(4-[2-(4-Cyano-furazan-3-ylmethoxy)-phenyl]-2,6-dim...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1OCc1nonc1C#N
Show InChI InChI=1S/C21H20N4O6/c1-11-17(20(26)28-3)19(18(12(2)23-11)21(27)29-4)13-7-5-6-8-16(13)30-10-15-14(9-22)24-31-25-15/h5-8,17,19H,10H2,1-4H3
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n/an/a 10n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibitory concentration for L-type [Ca2+] channels was measured through displacement of [3H]nitrendipine on rat cortex homogenates.


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50422191
PNG
(CHEMBL24998)
Show SMILES CCC(C)NCc1ccc2C(Sc3ccccc3-n12)C1=CCC(OC)(OC)C=C1
Show InChI InChI=1S/C24H30N2O2S/c1-5-17(2)25-16-19-10-11-21-23(18-12-14-24(27-3,28-4)15-13-18)29-22-9-7-6-8-20(22)26(19)21/h6-14,17,23,25H,5,15-16H2,1-4H3
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n/an/a 12n/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type [Ca2+] channel in rat cortex homogenate, activity expressed as pIC50


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50280077
PNG
(CHEMBL18988 | sec-Butyl-[4-(2,4-dimethoxy-phenyl)-...)
Show SMILES CCC(C)NCc1ccc2C(Sc3ccccc3-n12)c1ccc(OC)cc1OC
Show InChI InChI=1S/C24H28N2O2S/c1-5-16(2)25-15-17-10-13-21-24(19-12-11-18(27-3)14-22(19)28-4)29-23-9-7-6-8-20(23)26(17)21/h6-14,16,24-25H,5,15H2,1-4H3
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n/an/a 15n/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type [Ca2+] channel in rat cortex homogenate, activity expressed as pIC50


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50422192
PNG
(CHEMBL25278)
Show SMILES COc1ccc(cc1)[C@@H]1Sc2c(Cl)cccc2-n2c(CN(C)C)ccc2[C@@H]1OC(C)=O
Show InChI InChI=1S/C24H25ClN2O3S/c1-15(28)30-22-20-13-10-17(14-26(2)3)27(20)21-7-5-6-19(25)24(21)31-23(22)16-8-11-18(29-4)12-9-16/h5-13,22-23H,14H2,1-4H3/t22-,23-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type [Ca2+] channel in rat cortex homogenate, activity expressed as pIC50


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50072818
PNG
(4-[2-(4-Cyano-5-oxy-furazan-3-ylmethoxy)-phenyl]-2...)
Show SMILES COC(=O)C1=C(C)[N-]C(C)=C(C1c1ccccc1OCc1no[n+]([O-])c1C#N)C(=[OH+])OC
Show InChI InChI=1S/C21H20N4O7/c1-11-17(20(26)29-3)19(18(12(2)23-11)21(27)30-4)13-7-5-6-8-16(13)31-10-14-15(9-22)25(28)32-24-14/h5-8,19H,10H2,1-4H3,(H,23,26,27)
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n/an/a 27n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibitory concentration for L-type [Ca2+] channels was measured through displacement of [3H]nitrendipine on rat cortex homogenates.


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
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
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 28n/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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50422203
PNG
(CHEMBL284195)
Show SMILES CN(C)Cc1ccc2[C@H](OC(C)=O)[C@@H](Sc3c(Cl)cccc3-n12)c1ccccc1
Show InChI InChI=1S/C23H23ClN2O2S/c1-15(27)28-21-19-13-12-17(14-25(2)3)26(19)20-11-7-10-18(24)23(20)29-22(21)16-8-5-4-6-9-16/h4-13,21-22H,14H2,1-3H3/t21-,22-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type [Ca2+] channel in rat cortex homogenate, activity expressed as pIC50


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50029414
PNG
(Acetic acid 4-(4-methoxy-phenyl)-4H-benzo[b]pyrrol...)
Show SMILES COc1ccc(cc1)C1(OC(C)=O)Sc2ccccc2-n2cccc12
Show InChI InChI=1S/C20H17NO3S/c1-14(22)24-20(15-9-11-16(23-2)12-10-15)19-8-5-13-21(19)17-6-3-4-7-18(17)25-20/h3-13H,1-2H3
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n/an/a 30n/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type [Ca2+] channel in rat cortex homogenate, activity expressed as pIC50


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
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
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 34n/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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50317776
PNG
(CHEMBL1086836 | dimethyl 2,6-dimethyl-4-(2-(methyl...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1SC
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 35n/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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50317805
PNG
(3-but-3-ynyl 5-methyl 2,6-dimethyl-4-(3-nitropheny...)
Show SMILES COC(=O)C1C(C(C(=O)OCCC#C)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H20N2O6/c1-5-6-10-28-20(24)17-13(3)21-12(2)16(19(23)27-4)18(17)14-8-7-9-15(11-14)22(25)26/h1,7-9,11,16,18H,6,10H2,2-4H3
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n/an/a 35n/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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
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
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 37n/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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50317830
PNG
(3-cinnamyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)...)
Show SMILES COC(=O)C1C(C(C(=O)OC\C=C\c2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C25H24N2O6/c1-16-21(24(28)32-3)23(19-12-7-13-20(15-19)27(30)31)22(17(2)26-16)25(29)33-14-8-11-18-9-5-4-6-10-18/h4-13,15,21,23H,14H2,1-3H3/b11-8+
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n/an/a 37n/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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
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
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 38n/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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
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
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 38n/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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
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
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 39n/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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50072811
PNG
(2,6-Dimethyl-4-[2-(4-methyl-5-oxy-furazan-3-ylmeth...)
Show SMILES COC(=O)C1=C(C)[N-]C(C)=C(C1c1ccccc1OCc1no[n+]([O-])c1C)C(=[OH+])OC
Show InChI InChI=1S/C21H23N3O7/c1-11-17(20(25)28-4)19(18(12(2)22-11)21(26)29-5)14-8-6-7-9-16(14)30-10-15-13(3)24(27)31-23-15/h6-9,19H,10H2,1-5H3,(H,22,25,26)
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n/an/a 40n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibitory concentration for L-type [Ca2+] channels was measured through displacement of [3H]nitrendipine on rat cortex homogenates.


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50317819
PNG
(3-(3,5-dinitrobenzyl)5-methyl 2,6-dimethyl-4-(3-ni...)
Show SMILES COC(=O)C1C(C(C(=O)OCc2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H20N4O10/c1-12-19(22(28)36-3)21(15-5-4-6-16(9-15)25(30)31)20(13(2)24-12)23(29)37-11-14-7-17(26(32)33)10-18(8-14)27(34)35/h4-10,19,21H,11H2,1-3H3
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n/an/a 40n/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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50317828
PNG
(3-(2,3-dihydro-1H-inden-2-yl)5-methyl 2,6-dimethyl...)
Show SMILES COC(=O)C1C(C(C(=O)OC2Cc3ccccc3C2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C25H24N2O6/c1-14-21(24(28)32-3)23(18-9-6-10-19(11-18)27(30)31)22(15(2)26-14)25(29)33-20-12-16-7-4-5-8-17(16)13-20/h4-11,20-21,23H,12-13H2,1-3H3
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n/an/a 43n/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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
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
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 45n/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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50317792
PNG
(CHEMBL1094405 | diethyl 2-(hydroxymethyl)-6-methyl...)
Show SMILES CCOC(=O)C1C(C)N=C(C=O)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OCC
Show InChI InChI=1S/C19H22N2O7/c1-4-27-18(23)15-11(3)20-14(10-22)17(19(24)28-5-2)16(15)12-7-6-8-13(9-12)21(25)26/h6-11,15-17H,4-5H2,1-3H3
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n/an/a 45n/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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
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
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 46n/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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50004704
PNG
((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)
Show SMILES COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1
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n/an/a 46n/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type [Ca2+] channel in rat cortex homogenate, activity expressed as pIC50


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
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
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 47n/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


Citation and Details
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50029426
PNG
(CHEMBL24675 | [2-(3,4-Dimethoxy-phenyl)-ethyl]-[4-...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2-n2c(CN(C)CCc3ccc(OC)c(OC)c3)ccc12
Show InChI InChI=1S/C30H32N2O3S/c1-31(18-17-21-9-16-27(34-3)28(19-21)35-4)20-23-12-15-26-30(22-10-13-24(33-2)14-11-22)36-29-8-6-5-7-25(29)32(23)26/h5-16,19,30H,17-18,20H2,1-4H3
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n/an/a 52n/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type [Ca2+] channel in rat cortex homogenate, activity expressed as pIC50


Citation and Details
More data for this
Ligand-Target Pair
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