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Compile Data Set for Download or QSAR

Found 334 hits Enz. Inhib. hit(s) with Target = 'Voltage-gated L-type calcium channel' AND taxid = 9606   
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
Voltage-gated calcium channel


(Homo sapiens)
BDBM50318494
PNG
(3-ethyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC
Show InChI InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,14,16H,5H2,1-4H3
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0.25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)

More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens)
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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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)

More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens)
BDBM50016400
PNG
(2,6-Dimethyl-4-(2-methylsulfanyl-3-nitro-phenyl)-1...)
Show SMILES CCOC(=O)C1=C(C)[N-]C(C)=C(C1c1cccc(c1SC)[N+]([O-])=O)C(=[OH+])OCC
Show InChI InChI=1S/C20H24N2O6S/c1-6-27-19(23)15-11(3)21-12(4)16(20(24)28-7-2)17(15)13-9-8-10-14(22(25)26)18(13)29-5/h8-10,17H,6-7H2,1-5H3,(H,21,23,24)
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)

More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens)
BDBM50079458
PNG
(2,6-Dimethyl-4-[3-methyl-5-(2-naphthalen-1-yl-ethy...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2CCc2cccc3ccccc23)C(C(=O)OCC)=C(C)N=C1C
Show InChI InChI=1S/C29H32N2O5/c1-6-34-28(32)25-17(3)30-18(4)26(29(33)35-7-2)27(25)24-19(5)31-36-23(24)16-15-21-13-10-12-20-11-8-9-14-22(20)21/h8-14,25,27H,6-7,15-16H2,1-5H3
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4.10n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-PN200-110 binding to calcium channels in guinea pig cardiac membranes.


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50453799
PNG
(NIGULDIPINE | Niguldipine)
Show SMILES COC(=O)C1=C(C)NC(C)=C([C@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3/t33-/m0/s1
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4.60n/an/an/an/an/an/an/an/a



Prestwick Chemical Inc.

Curated by ChEMBL


Assay Description
Invitro evaluation against RXR-alpha in CV-1 cells by cotransfection assay was determined


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens)
BDBM50079463
PNG
(4-{5-[2-(3-Bromo-phenyl)-ethyl]-3-phenyl-isoxazol-...)
Show SMILES CCOC(=O)C1C(c2c(CCc3cccc(Br)c3)onc2-c2ccccc2)C(C(=O)OCC)=C(C)N=C1C
Show InChI InChI=1S/C30H31BrN2O5/c1-5-36-29(34)24-18(3)32-19(4)25(30(35)37-6-2)27(24)26-23(16-15-20-11-10-14-22(31)17-20)38-33-28(26)21-12-8-7-9-13-21/h7-14,17,24,27H,5-6,15-16H2,1-4H3
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6.90n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-PN200-110 binding to calcium channels in guinea pig cardiac membranes.


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens)
BDBM50013025
PNG
(2,6-Dimethyl-4-(5-methyl-3-phenyl-isoxazol-4-yl)-1...)
Show SMILES CCOC(=O)C1C(c2c(C)onc2-c2ccccc2)C(C(=O)OCC)=C(C)N=C1C
Show InChI InChI=1S/C23H26N2O5/c1-6-28-22(26)17-13(3)24-14(4)18(23(27)29-7-2)20(17)19-15(5)30-25-21(19)16-11-9-8-10-12-16/h8-12,17,20H,6-7H2,1-5H3
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14n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PN-200110 binding to Calcium channel in guinea pig heart membrane


J Med Chem 33: 2255-9 (1990)

More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens)
BDBM50079459
PNG
(4-[5-(2-Biphenyl-4-yl-ethyl)-3-methyl-isoxazol-4-y...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2CCc2ccc(cc2)-c2ccccc2)C(C(=O)OCC)=C(C)N=C1C
Show InChI InChI=1S/C31H34N2O5/c1-6-36-30(34)27-19(3)32-20(4)28(31(35)37-7-2)29(27)26-21(5)33-38-25(26)18-15-22-13-16-24(17-14-22)23-11-9-8-10-12-23/h8-14,16-17,27,29H,6-7,15,18H2,1-5H3
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18n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-PN200-110 binding to calcium channels in guinea pig cardiac membranes.


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens)
BDBM50079464
PNG
(2,6-Dimethyl-4-[3-methyl-5-(2-naphthalen-2-yl-ethy...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2CCc2ccc3ccccc3c2)C(C(=O)OCC)=C(C)N=C1C
Show InChI InChI=1S/C29H32N2O5/c1-6-34-28(32)25-17(3)30-18(4)26(29(33)35-7-2)27(25)24-19(5)31-36-23(24)15-13-20-12-14-21-10-8-9-11-22(21)16-20/h8-12,14,16,25,27H,6-7,13,15H2,1-5H3
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20n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-PN200-110 binding to calcium channels in guinea pig cardiac membranes.


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens)
BDBM50079462
PNG
(2,6-Dimethyl-4-(3-methyl-5-phenethyl-isoxazol-4-yl...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2CCc2ccccc2)C(C(=O)OCC)=C(C)N=C1C
Show InChI InChI=1S/C25H30N2O5/c1-6-30-24(28)21-15(3)26-16(4)22(25(29)31-7-2)23(21)20-17(5)27-32-19(20)14-13-18-11-9-8-10-12-18/h8-12,21,23H,6-7,13-14H2,1-5H3
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23n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-PN200-110 binding to calcium channels in guinea pig cardiac membranes.


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens)
BDBM50013022
PNG
(4-(3,5-Dimethyl-isoxazol-4-yl)-2,6-dimethyl-1,4-di...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2C)C(C(=O)OCC)=C(C)N=C1C
Show InChI InChI=1S/C18H24N2O5/c1-7-23-17(21)14-9(3)19-10(4)15(18(22)24-8-2)16(14)13-11(5)20-25-12(13)6/h14,16H,7-8H2,1-6H3
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27n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PN-200110 binding to Calcium channel in guinea pig heart membrane


J Med Chem 33: 2255-9 (1990)

More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens)
BDBM50013022
PNG
(4-(3,5-Dimethyl-isoxazol-4-yl)-2,6-dimethyl-1,4-di...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2C)C(C(=O)OCC)=C(C)N=C1C
Show InChI InChI=1S/C18H24N2O5/c1-7-23-17(21)14-9(3)19-10(4)15(18(22)24-8-2)16(14)13-11(5)20-25-12(13)6/h14,16H,7-8H2,1-6H3
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29n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PN-200110 binding to Calcium channel in guinea pig heart membrane.


J Med Chem 33: 2255-9 (1990)

More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens)
BDBM50452435
PNG
(CHEMBL2110302)
Show SMILES CCO\C(O)=C1\[C@@H]2[C@@H](C(=O)OCC)[C@@](C)(Sc3ccc(cc23)[N+]([O-])=O)N=C1C
Show InChI InChI=1S/C19H22N2O6S/c1-5-26-17(22)14-10(3)20-19(4)16(18(23)27-6-2)15(14)12-9-11(21(24)25)7-8-13(12)28-19/h7-9,15-16,22H,5-6H2,1-4H3/b17-14+/t15-,16+,19-/m1/s1
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30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)

More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens)
BDBM50079460
PNG
(4-{5-[2-(3-Methoxy-phenyl)-ethyl]-3-phenyl-isoxazo...)
Show SMILES CCOC(=O)C1C(c2c(CCc3cccc(OC)c3)onc2-c2ccccc2)C(C(=O)OCC)=C(C)N=C1C
Show InChI InChI=1S/C31H34N2O6/c1-6-37-30(34)25-19(3)32-20(4)26(31(35)38-7-2)28(25)27-24(17-16-21-12-11-15-23(18-21)36-5)39-33-29(27)22-13-9-8-10-14-22/h8-15,18,25,28H,6-7,16-17H2,1-5H3
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40n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-PN200-110 binding to calcium channels in guinea pig cardiac membranes.


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens)
BDBM50281270
PNG
(Acetic acid (2S,3S)-5-(2-dimethylamino-ethyl)-8-me...)
Show SMILES COc1ccc(cc1)[C@@H]1Sc2cc(OC)ccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C23H28N2O5S/c1-15(26)30-21-22(16-6-8-17(28-4)9-7-16)31-20-14-18(29-5)10-11-19(20)25(23(21)27)13-12-24(2)3/h6-11,14,21-22H,12-13H2,1-5H3/t21-,22+/m1/s1
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42n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-diltiazem from L-type calcium channel of guinea pig striated muscle


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens)
BDBM50013021
PNG
(4-(5-Ethyl-3-methyl-isoxazol-4-yl)-2,6-dimethyl-1,...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2CC)C(C(=O)OCC)=C(C)N=C1C
Show InChI InChI=1S/C19H26N2O5/c1-7-13-14(12(6)21-26-13)17-15(18(22)24-8-2)10(4)20-11(5)16(17)19(23)25-9-3/h15,17H,7-9H2,1-6H3
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52n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PN-200110 binding to Calcium channel in guinea pig heart membrane


J Med Chem 33: 2255-9 (1990)

More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens)
BDBM50079461
PNG
(2,6-Dimethyl-4-(5-phenethyl-3-phenyl-isoxazol-4-yl...)
Show SMILES CCOC(=O)C1C(c2c(CCc3ccccc3)onc2-c2ccccc2)C(C(=O)OCC)=C(C)N=C1C
Show InChI InChI=1S/C30H32N2O5/c1-5-35-29(33)24-19(3)31-20(4)25(30(34)36-6-2)27(24)26-23(18-17-21-13-9-7-10-14-21)37-32-28(26)22-15-11-8-12-16-22/h7-16,24,27H,5-6,17-18H2,1-4H3
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73n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-PN200-110 binding to calcium channels in guinea pig cardiac membranes.


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens)
BDBM50013026
PNG
(2,6-Dimethyl-4-(5-pentyl-3-phenyl-isoxazol-4-yl)-1...)
Show SMILES CCCCCc1onc(c1C1C(C(=O)OCC)C(C)=NC(C)=C1C(=O)OCC)-c1ccccc1
Show InChI InChI=1S/C27H34N2O5/c1-6-9-11-16-20-23(25(29-34-20)19-14-12-10-13-15-19)24-21(26(30)32-7-2)17(4)28-18(5)22(24)27(31)33-8-3/h10,12-15,21,24H,6-9,11,16H2,1-5H3
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79n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PN-200110 binding to Calcium channel in guinea pig heart membrane


J Med Chem 33: 2255-9 (1990)

More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens)
BDBM50016398
PNG
(2,6-Dimethyl-4-(2-methylsulfanyl-5-nitro-phenyl)-1...)
Show SMILES CCOC([O-])=C1C(C(C(=[OH+])OCC)=C(C)N=C1C)c1cc(ccc1SC)[N+]([O-])=O
Show InChI InChI=1S/C20H24N2O6S/c1-6-27-19(23)16-11(3)21-12(4)17(20(24)28-7-2)18(16)14-10-13(22(25)26)8-9-15(14)29-5/h8-10,18,23H,6-7H2,1-5H3
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80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)

More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens)
BDBM50281272
PNG
((2R,3S)-5-(2-Dimethylamino-ethyl)-8-methoxy-2-(4-m...)
Show SMILES COc1ccc(cc1)[C@@H]1Sc2cc(OC)ccc2N(CCN(C)C)C(=O)[C@@H]1C
Show InChI InChI=1S/C22H28N2O3S/c1-15-21(16-6-8-17(26-4)9-7-16)28-20-14-18(27-5)10-11-19(20)24(22(15)25)13-12-23(2)3/h6-11,14-15,21H,12-13H2,1-5H3/t15-,21-/m1/s1
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85n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-diltiazem from L-type calcium channel of guinea pig striated muscle


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens)
BDBM50079465
PNG
(4-[5-(2-Biphenyl-2-yl-ethyl)-3-methyl-isoxazol-4-y...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2CCc2ccccc2-c2ccccc2)C(C(=O)OCC)=C(C)N=C1C
Show InChI InChI=1S/C31H34N2O5/c1-6-36-30(34)27-19(3)32-20(4)28(31(35)37-7-2)29(27)26-21(5)33-38-25(26)18-17-23-15-11-12-16-24(23)22-13-9-8-10-14-22/h8-16,27,29H,6-7,17-18H2,1-5H3
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91n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-PN200-110 binding to calcium channels in guinea pig cardiac membranes.


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens)
BDBM50013024
PNG
(4-(3,5-Dimethyl-isoxazol-4-yl)-2,6-dimethyl-1,4-di...)
Show SMILES COC(=O)C1C(c2c(C)noc2C)C(C(=O)OC)=C(C)N=C1C
Show InChI InChI=1S/C16H20N2O5/c1-7-12(15(19)21-5)14(11-9(3)18-23-10(11)4)13(8(2)17-7)16(20)22-6/h12,14H,1-6H3
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122n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PN-200110 binding to Calcium channel in guinea pig heart membrane


J Med Chem 33: 2255-9 (1990)

More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens)
BDBM50452433
PNG
(CHEMBL2110168)
Show SMILES CCO\C(O)=C1\[C@@H]2[C@H](C(=O)OCC)[C@@](C)(Sc3c2cccc3[N+]([O-])=O)N=C1C
Show InChI InChI=1S/C19H22N2O6S/c1-5-26-17(22)13-10(3)20-19(4)15(18(23)27-6-2)14(13)11-8-7-9-12(21(24)25)16(11)28-19/h7-9,14-15,22H,5-6H2,1-4H3/b17-13+/t14-,15-,19-/m1/s1
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250n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)

More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens)
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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380n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-diltiazem from L-type calcium channel of guinea pig striated muscle


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens)
BDBM50013023
PNG
(4-(5-Isopropyl-3-phenyl-isoxazol-4-yl)-2,6-dimethy...)
Show SMILES CCOC(=O)C1C(c2c(onc2-c2ccccc2)C(C)C)C(C(=O)OCC)=C(C)N=C1C
Show InChI InChI=1S/C25H30N2O5/c1-7-30-24(28)18-15(5)26-16(6)19(25(29)31-8-2)20(18)21-22(17-12-10-9-11-13-17)27-32-23(21)14(3)4/h9-14,18,20H,7-8H2,1-6H3
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417n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PN-200110 binding to Calcium channel in guinea pig heart membrane


J Med Chem 33: 2255-9 (1990)

More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50101095
PNG
(CHEMBL3325957)
Show SMILES CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1
Show InChI InChI=1/C24H27FN2O.C6H8O7/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-9,16,26H,10-15H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t23-,24-;
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480n/an/an/an/an/an/an/an/a



Departments of Medicinal Chemistry, Preclinical Drug Safety, Molecular Pharmacology, Pain Pharmacology, Pharmacokinetics, and Discovery Informatics, Global Drug Discovery, Grünenthal Innovation, Grün

Curated by ChEMBL


Assay Description
Inhibition of rat brain cortex L-type Ca2+-channel phenylalkylamine site


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens)
BDBM50452434
PNG
(CHEMBL2110303)
Show SMILES CCOC(=O)[C@@H]1[C@H]2\C(=C(/O)OCC)C(C)=N[C@]1(C)Sc1ccccc21
Show InChI InChI=1S/C19H23NO4S/c1-5-23-17(21)14-11(3)20-19(4)16(18(22)24-6-2)15(14)12-9-7-8-10-13(12)25-19/h7-10,15-16,21H,5-6H2,1-4H3/b17-14+/t15-,16+,19-/m1/s1
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500n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)

More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens)
BDBM50016388
PNG
(5-(2-Dimethylamino-ethyl)-4-methyl-2-(3-nitro-phen...)
Show SMILES COC(=O)C1=C(C)N(CCN(C)C)c2ccccc2SC1c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H25N3O4S/c1-15-20(22(26)29-4)21(16-8-7-9-17(14-16)25(27)28)30-19-11-6-5-10-18(19)24(15)13-12-23(2)3/h5-11,14,21H,12-13H2,1-4H3
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505n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-diltiazem binding to calcium channels of guinea pig myocardium


J Med Chem 30: 635-40 (1987)

More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens)
BDBM50281271
PNG
((2R,3S)-5-(2-Dimethylamino-ethyl)-2-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1C
Show InChI InChI=1S/C21H26N2O2S/c1-15-20(16-9-11-17(25-4)12-10-16)26-19-8-6-5-7-18(19)23(21(15)24)14-13-22(2)3/h5-12,15,20H,13-14H2,1-4H3/t15-,20-/m1/s1
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540n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-diltiazem from L-type calcium channel of guinea pig striated muscle


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens)
BDBM50000383
PNG
((3R,4R)-1-(2-Dimethylamino-ethyl)-4-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)[C@@H]1Cc2ccccc2N(CCN(C)C)C(=O)[C@@H]1C
Show InChI InChI=1S/C22H28N2O2/c1-16-20(17-9-11-19(26-4)12-10-17)15-18-7-5-6-8-21(18)24(22(16)25)14-13-23(2)3/h5-12,16,20H,13-15H2,1-4H3/t16-,20-/m1/s1
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650n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-diltiazem from L-type calcium channel of guinea pig striated muscle


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens)
BDBM50452432
PNG
(CHEMBL2110169)
Show SMILES CCO\C(O)=C1\[C@@H]2[C@H](C(=O)OCC)[C@@](C)(Sc3ccc(cc23)[N+]([O-])=O)N=C1C
Show InChI InChI=1S/C19H22N2O6S/c1-5-26-17(22)14-10(3)20-19(4)16(18(23)27-6-2)15(14)12-9-11(21(24)25)7-8-13(12)28-19/h7-9,15-16,22H,5-6H2,1-4H3/b17-14+/t15-,16-,19-/m1/s1
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650n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)

More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50101095
PNG
(CHEMBL3325957)
Show SMILES CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1
Show InChI InChI=1/C24H27FN2O.C6H8O7/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-9,16,26H,10-15H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t23-,24-;
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800n/an/an/an/an/an/an/an/a



Departments of Medicinal Chemistry, Preclinical Drug Safety, Molecular Pharmacology, Pain Pharmacology, Pharmacokinetics, and Discovery Informatics, Global Drug Discovery, Grünenthal Innovation, Grün

Curated by ChEMBL


Assay Description
Inhibition of rat brain cortex L-type Ca2+-channel benzothiazepine site


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50090647
PNG
((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...)
Show SMILES C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C25H28F3N3O3/c1-16-23(19-5-8-21(27)22(28)15-19)31(25(33)34-16)24(32)29-11-2-12-30-13-9-18(10-14-30)17-3-6-20(26)7-4-17/h3-8,15-16,18,23H,2,9-14H2,1H3,(H,29,32)/t16-,23+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to rat L-type Ca-channel receptor


J Med Chem 43: 2775-8 (2000)

More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens)
BDBM50452430
PNG
(CHEMBL2110298)
Show SMILES CCO\C(O)=C1\[C@@H]2[C@@H](C(=O)OCC)[C@@](C)(Sc3cc(ccc23)[N+]([O-])=O)N=C1C
Show InChI InChI=1S/C19H22N2O6S/c1-5-26-17(22)14-10(3)20-19(4)16(18(23)27-6-2)15(14)12-8-7-11(21(24)25)9-13(12)28-19/h7-9,15-16,22H,5-6H2,1-4H3/b17-14+/t15-,16+,19-/m1/s1
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3.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)

More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens)
BDBM50452429
PNG
(CHEMBL2110170)
Show SMILES CCOC(=O)[C@H]1[C@H]2\C(=C(/O)OCC)C(C)=N[C@]1(C)Sc1ccccc21
Show InChI InChI=1S/C19H23NO4S/c1-5-23-17(21)14-11(3)20-19(4)16(18(22)24-6-2)15(14)12-9-7-8-10-13(12)25-19/h7-10,15-16,21H,5-6H2,1-4H3/b17-14+/t15-,16-,19-/m1/s1
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5.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)

More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens)
BDBM50452431
PNG
(CHEMBL2110167)
Show SMILES CCO\C(O)=C1\[C@@H]2[C@H](C(=O)OCC)[C@@](C)(Sc3cc(ccc23)[N+]([O-])=O)N=C1C
Show InChI InChI=1S/C19H22N2O6S/c1-5-26-17(22)14-10(3)20-19(4)16(18(23)27-6-2)15(14)12-8-7-11(21(24)25)9-13(12)28-19/h7-9,15-16,22H,5-6H2,1-4H3/b17-14+/t15-,16-,19-/m1/s1
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5.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)

More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens)
BDBM50452436
PNG
(CHEMBL2110301)
Show SMILES CCO\C(O)=C1\[C@@H]2[C@@H](C(=O)OCC)[C@@](C)(Sc3c2cccc3[N+]([O-])=O)N=C1C
Show InChI InChI=1S/C19H22N2O6S/c1-5-26-17(22)13-10(3)20-19(4)15(18(23)27-6-2)14(13)11-8-7-9-12(21(24)25)16(11)28-19/h7-9,14-15,22H,5-6H2,1-4H3/b17-13+/t14-,15+,19-/m1/s1
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6.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)

More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50101095
PNG
(CHEMBL3325957)
Show SMILES CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1
Show InChI InChI=1/C24H27FN2O.C6H8O7/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-9,16,26H,10-15H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t23-,24-;
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>1.00E+5n/an/an/an/an/an/an/an/a



Departments of Medicinal Chemistry, Preclinical Drug Safety, Molecular Pharmacology, Pain Pharmacology, Pharmacokinetics, and Discovery Informatics, Global Drug Discovery, Grünenthal Innovation, Grün

Curated by ChEMBL


Assay Description
Inhibition of rat whole brain L-type Ca2+-channel dihydropyridine site


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens)
BDBM50318494
PNG
(3-ethyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC
Show InChI InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,14,16H,5H2,1-4H3
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n/an/a 0.350n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of voltage-gated L-type Ca channel (species unknown)


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Homo sapiens)
BDBM50436176
PNG
(Dynacirc | Dynacirc Cr | ISRADIPINE | Isrodipine |...)
Show SMILES COC(=O)C1=C(C)NC(C)=C(C1c1cccc2nonc12)C(=O)OC(C)C
Show InChI InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,16,20H,1-5H3
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n/an/a 2.20n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C sub...


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Homo sapiens)
BDBM50101963
PNG
(BAY-K-5552 | CHEBI:76917 | NISOLDIPINE | Nisoldipi...)
Show SMILES COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OCC(C)C
Show InChI InChI=1/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3
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n/an/a 3n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in Chinese hamster ovary cells heterologically expressing alpha-1C subu...


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Homo sapiens)
BDBM82061
PNG
(CAS_119442 | D600 | GALLOPAMIL | NSC_119442)
Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2cc(OC)c(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C28H40N2O5/c1-20(2)28(19-29,22-17-25(33-6)27(35-8)26(18-22)34-7)13-9-14-30(3)15-12-21-10-11-23(31-4)24(16-21)32-5/h10-11,16-18,20H,9,12-15H2,1-8H3
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n/an/a 17n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Homo sapiens)
BDBM50101817
PNG
(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Show SMILES COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OC
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/h5-8,15,18H,1-4H3
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n/an/a 22n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C sub...


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens)
BDBM50299980
PNG
((R)-1-(Methylsulfonylamino)-3-[2-(4-methoxyphenyl)...)
Show SMILES COc1ccc(CCN2[C@@H](CN(NS(C)(=O)=O)C2=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C20H25N3O5S/c1-27-17-8-4-15(5-9-17)12-13-22-19(16-6-10-18(28-2)11-7-16)14-23(20(22)24)21-29(3,25)26/h4-11,19,21H,12-14H2,1-3H3/t19-/m0/s1
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PubMed
n/an/a 23n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Cav1.3 expressed in CHO cells by patch-clamp technique


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens)
BDBM50299980
PNG
((R)-1-(Methylsulfonylamino)-3-[2-(4-methoxyphenyl)...)
Show SMILES COc1ccc(CCN2[C@@H](CN(NS(C)(=O)=O)C2=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C20H25N3O5S/c1-27-17-8-4-15(5-9-17)12-13-22-19(16-6-10-18(28-2)11-7-16)14-23(20(22)24)21-29(3,25)26/h4-11,19,21H,12-14H2,1-3H3/t19-/m0/s1
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n/an/a>30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Cav1.2 expressed in CHO cells by patch-clamp technique


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Homo sapiens)
BDBM8885
PNG
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C sub...


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Homo sapiens)
BDBM8885
PNG
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C sub...


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Homo sapiens)
BDBM50101817
PNG
(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Show SMILES COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OC
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/h5-8,15,18H,1-4H3
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n/an/a 50n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in Chinese hamster ovary cells heterologically expressing alpha-1C subu...


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Homo sapiens)
BDBM50101817
PNG
(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Show SMILES COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OC
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/h5-8,15,18H,1-4H3
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n/an/a 55n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C sub...


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens)
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 60n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of voltage-gated L-type Ca channel (species unknown)


Citation and Details
More data for this
Ligand-Target Pair
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