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Compile Data Set for Download or QSAR

Found 189 hits Enz. Inhib. hit(s) with Target = 'Voltage-dependent L-type calcium channel subunit alpha-1S'   
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-1S


(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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0.160n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]nitrendipine from calcium channel receptor


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


(Rattus norvegicus)
BDBM50226128
PNG
(CHEMBL2093893)
Show SMILES Cl.CO\C(O)=C1\[C@@H](C(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C27H29N3O6.ClH/c1-17-23(26(31)35-3)25(20-10-7-11-21(14-20)30(33)34)24(18(2)28-17)27(32)36-22-12-13-29(16-22)15-19-8-5-4-6-9-19;/h4-11,14,22,25,31H,12-13,15-16H2,1-3H3;1H/b26-23+;/t22-,25-;/m0./s1
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0.205n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel from rat brain cortex homogenate


J Med Chem 29: 2504-11 (1986)


Article DOI: 10.1021/jm00162a013
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50226129
PNG
(CHEMBL1314450)
Show SMILES COC(=O)C1=C(C)NC(C)=C([C@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCN(C)Cc1ccccc1
Show InChI InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3/t24-/m0/s1
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0.499n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel from rat brain cortex homogenate


J Med Chem 29: 2504-11 (1986)


Article DOI: 10.1021/jm00162a013
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50101815
PNG
(CHEBI:7550 | NICARDIPINE | Nicardipine)
Show SMILES COC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OCCN(C)Cc1ccccc1
Show InChI InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3
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0.840n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel from rat brain cortex homogenate


J Med Chem 29: 2504-11 (1986)


Article DOI: 10.1021/jm00162a013
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50226130
PNG
(CHEMBL558616)
Show SMILES Cl.CO\C(O)=C1\[C@@H](C(C(=O)O[C@@H]2CCN(Cc3ccccc3)C2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C27H29N3O6.ClH/c1-17-23(26(31)35-3)25(20-10-7-11-21(14-20)30(33)34)24(18(2)28-17)27(32)36-22-12-13-29(16-22)15-19-8-5-4-6-9-19;/h4-11,14,22,25,31H,12-13,15-16H2,1-3H3;1H/b26-23+;/t22-,25+;/m1./s1
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3.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel from rat brain cortex homogenate


J Med Chem 29: 2504-11 (1986)


Article DOI: 10.1021/jm00162a013
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
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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4.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel from rat brain cortex homogenate


J Med Chem 29: 2504-11 (1986)


Article DOI: 10.1021/jm00162a013
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(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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5.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]nitrendipine from calcium channel receptor


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


(Rattus norvegicus)
BDBM50226131
PNG
(CHEMBL1598680)
Show SMILES COC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCN(C)Cc1ccccc1
Show InChI InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3/t24-/m1/s1
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7.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel from rat brain cortex homogenate


J Med Chem 29: 2504-11 (1986)


Article DOI: 10.1021/jm00162a013
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50226127
PNG
(CHEMBL542169)
Show SMILES Cl.CO\C(O)=C1\[C@H](C(C(=O)O[C@@H]2CCN(Cc3ccccc3)C2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C27H29N3O6.ClH/c1-17-23(26(31)35-3)25(20-10-7-11-21(14-20)30(33)34)24(18(2)28-17)27(32)36-22-12-13-29(16-22)15-19-8-5-4-6-9-19;/h4-11,14,22,25,31H,12-13,15-16H2,1-3H3;1H/b26-23+;/t22-,25-;/m1./s1
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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel from rat brain cortex homogenate


J Med Chem 29: 2504-11 (1986)


Article DOI: 10.1021/jm00162a013
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(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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16n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]nitrendipine from calcium channel receptor


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


(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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19n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]nitrendipine from calcium channel receptor


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


(Homo sapiens (Human))
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


Bioorg Med Chem Lett 3: 2797-2800 (1993)


Article DOI: 10.1016/S0960-894X(01)80767-8
BindingDB Entry DOI: 10.7270/Q2FN164V
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50226126
PNG
(CHEMBL553553)
Show SMILES Cl.CO\C(O)=C1\[C@H](C(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C27H29N3O6.ClH/c1-17-23(26(31)35-3)25(20-10-7-11-21(14-20)30(33)34)24(18(2)28-17)27(32)36-22-12-13-29(16-22)15-19-8-5-4-6-9-19;/h4-11,14,22,25,31H,12-13,15-16H2,1-3H3;1H/b26-23+;/t22-,25+;/m0./s1
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50n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel from rat brain cortex homogenate


J Med Chem 29: 2504-11 (1986)


Article DOI: 10.1021/jm00162a013
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50029418
PNG
(CHEMBL275195 | [4-(2,4-Dimethoxy-phenyl)-4H-benzo[...)
Show SMILES COc1ccc(C2Sc3ccccc3-n3c(CN(C)C)ccc23)c(OC)c1
Show InChI InChI=1S/C22H24N2O2S/c1-23(2)14-15-9-12-19-22(17-11-10-16(25-3)13-20(17)26-4)27-21-8-6-5-7-18(21)24(15)19/h5-13,22H,14H2,1-4H3
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56n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]nitrendipine from calcium channel receptor


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


(Homo sapiens (Human))
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


Bioorg Med Chem Lett 3: 2797-2800 (1993)


Article DOI: 10.1016/S0960-894X(01)80767-8
BindingDB Entry DOI: 10.7270/Q2FN164V
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50029431
PNG
(CHEMBL277293 | Dimethyl-(4-phenyl-4H-benzo[b]pyrro...)
Show SMILES CN(C)Cc1ccc2C(Sc3ccccc3-n12)c1ccccc1
Show InChI InChI=1S/C20H20N2S/c1-21(2)14-16-12-13-18-20(15-8-4-3-5-9-15)23-19-11-7-6-10-17(19)22(16)18/h3-13,20H,14H2,1-2H3
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118n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]nitrendipine from calcium channel receptor


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


(Rattus norvegicus)
BDBM50212320
PNG
(CHEMBL274514)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2-n2c(CNCCc3ccc(OC)c(OC)c3)ccc12
Show InChI InChI=1S/C29H30N2O3S/c1-32-23-12-9-21(10-13-23)29-25-14-11-22(31(25)24-6-4-5-7-28(24)35-29)19-30-17-16-20-8-15-26(33-2)27(18-20)34-3/h4-15,18,29-30H,16-17,19H2,1-3H3
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200n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]nitrendipine from calcium channel receptor


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


(Homo sapiens (Human))
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


Bioorg Med Chem Lett 3: 2797-2800 (1993)


Article DOI: 10.1016/S0960-894X(01)80767-8
BindingDB Entry DOI: 10.7270/Q2FN164V
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
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


Bioorg Med Chem Lett 3: 2797-2800 (1993)


Article DOI: 10.1016/S0960-894X(01)80767-8
BindingDB Entry DOI: 10.7270/Q2FN164V
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
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


Bioorg Med Chem Lett 3: 2797-2800 (1993)


Article DOI: 10.1016/S0960-894X(01)80767-8
BindingDB Entry DOI: 10.7270/Q2FN164V
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50212319
PNG
(CHEMBL18412)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2-n2c(CNc3ccc(F)cc3)ccc12
Show InChI InChI=1S/C25H21FN2OS/c1-29-21-13-6-17(7-14-21)25-23-15-12-20(16-27-19-10-8-18(26)9-11-19)28(23)22-4-2-3-5-24(22)30-25/h2-15,25,27H,16H2,1H3
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2.20E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]nitrendipine from calcium channel receptor


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


(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 0.420n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]nitrendipine from calcium channel receptor


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


(Rattus norvegicus)
BDBM50103634
PNG
(CL-287389 | FK-235 | NILVADIPINE | Nilvadipine | N...)
Show SMILES COC(=O)C1=C(NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C)C#N
Show InChI InChI=1S/C19H19N3O6/c1-10(2)28-19(24)15-11(3)21-14(9-20)17(18(23)27-4)16(15)12-6-5-7-13(8-12)22(25)26/h5-8,10,16,21H,1-4H3
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n/an/a 1n/an/an/an/an/an/a



Suntory Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channels of rat cerebral cortex


J Med Chem 32: 2399-406 (1989)


Article DOI: 10.1021/jm00130a029
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50229256
PNG
(CHEMBL73590)
Show SMILES CCO\C(O)=C1\C(C(C(=O)OCC)=C(C)N=C1CSc1ccccc1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H26F3NO4S/c1-4-33-24(31)21-16(3)30-20(15-35-17-11-7-6-8-12-17)23(25(32)34-5-2)22(21)18-13-9-10-14-19(18)26(27,28)29/h6-14,22,32H,4-5,15H2,1-3H3/b25-23+
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n/an/a 1.60n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Affinity to bind dihydropyridine receptor (DHP receptor) by inhibiting the radioligand [3H]nitrendipine


J Med Chem 34: 2248-60 (1991)


Article DOI: 10.1021/jm00111a047
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
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 1.70n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to calcium channels in the rat brain.


J Med Chem 31: 1659-64 (1988)


Article DOI: 10.1021/jm00403a030
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50227967
PNG
(CHEMBL78973)
Show SMILES CC(C)OC(=O)C1=C(C)N=C(C)N(C1c1ccccc1[N+]([O-])=O)C(=O)OCCN(Cc1ccccc1)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C33H34Cl2N4O6/c1-21(2)45-32(40)30-22(3)36-23(4)38(31(30)26-12-8-9-13-29(26)39(42)43)33(41)44-17-16-37(19-24-10-6-5-7-11-24)20-25-14-15-27(34)28(35)18-25/h5-15,18,21,31H,16-17,19-20H2,1-4H3
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n/an/a 2.10n/an/an/an/an/an/a



Suntory Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]- Nitrendipine binding to L-type calcium channels of rat cerebral cortex


J Med Chem 32: 2399-406 (1989)


Article DOI: 10.1021/jm00130a029
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
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 2.5n/an/an/an/an/an/a



Suntory Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channels of rat cerebral cortex


J Med Chem 32: 2399-406 (1989)


Article DOI: 10.1021/jm00130a029
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50101815
PNG
(CHEBI:7550 | NICARDIPINE | Nicardipine)
Show SMILES COC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OCCN(C)Cc1ccccc1
Show InChI InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3
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n/an/a 2.70n/an/an/an/an/an/a



Suntory Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channels of rat cerebral cortex


J Med Chem 32: 2399-406 (1989)


Article DOI: 10.1021/jm00130a029
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50227968
PNG
(CHEMBL310953)
Show SMILES CC(C)OC(=O)C1=C(C)N=C(C)N(C1c1ccccc1[N+]([O-])=O)C(=O)OCCN(Cc1ccccc1)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C37H38N4O6/c1-25(2)47-36(42)34-26(3)38-27(4)40(35(34)32-16-10-11-17-33(32)41(44)45)37(43)46-21-20-39(23-28-12-6-5-7-13-28)24-29-18-19-30-14-8-9-15-31(30)22-29/h5-19,22,25,35H,20-21,23-24H2,1-4H3
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n/an/a 7.10n/an/an/an/an/an/a



Suntory Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]- Nitrendipine binding to L-type calcium channels of rat cerebral cortex


J Med Chem 32: 2399-406 (1989)


Article DOI: 10.1021/jm00130a029
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50227969
PNG
(CHEMBL312176 | CV-4093)
Show SMILES CO\C(O)=C1/C(C(C(=O)OCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C35H38N4O6/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-16,23,32-33,40H,17-22H2,1-3H3/b34-30-
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n/an/a 8.70n/an/an/an/an/an/a



Suntory Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]- Nitrendipine binding to L-type calcium channels of rat cerebral cortex


J Med Chem 32: 2399-406 (1989)


Article DOI: 10.1021/jm00130a029
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50229315
PNG
(CHEMBL312304)
Show SMILES CCO\C(O)=C1\C(C(C(=O)OCC)=C(C)N=C1C[S+]([O-])c1ccccn1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H25F3N2O5S/c1-4-34-23(31)20-15(3)30-18(14-36(33)19-12-8-9-13-29-19)22(24(32)35-5-2)21(20)16-10-6-7-11-17(16)25(26,27)28/h6-13,21,32H,4-5,14H2,1-3H3/b24-22+
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n/an/a 10n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Affinity to bind dihydropyridine receptor (DHP receptor) by inhibiting the radioligand [3H]nitrendipine


J Med Chem 34: 2248-60 (1991)


Article DOI: 10.1021/jm00111a047
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(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


TBA

Assay Description
Displacement of [3H]nitrendipine from calcium channel receptor


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


(Rattus norvegicus)
BDBM50229269
PNG
(CHEMBL72696)
Show SMILES CCO\C(O)=C1\C(C(C(=O)OCC)=C(C)N=C1C[S+]([O-])c1ccc(OC)cc1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C27H28F3NO6S/c1-5-36-25(32)22-16(3)31-21(15-38(34)18-13-11-17(35-4)12-14-18)24(26(33)37-6-2)23(22)19-9-7-8-10-20(19)27(28,29)30/h7-14,23,33H,5-6,15H2,1-4H3/b26-24+
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n/an/a 18n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Affinity to bind dihydropyridine receptor (DHP receptor) by inhibiting the radioligand [3H]nitrendipine


J Med Chem 34: 2248-60 (1991)


Article DOI: 10.1021/jm00111a047
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50227617
PNG
(CHEMBL46635)
Show SMILES CCOC(=O)CC1=C(C(\C(=C(/O)OCC)C(C)=N1)c1ccccc1C(F)(F)F)C(=O)OCC
Show InChI InChI=1S/C23H26F3NO6/c1-5-31-17(28)12-16-20(22(30)33-7-3)19(18(13(4)27-16)21(29)32-6-2)14-10-8-9-11-15(14)23(24,25)26/h8-11,19,29H,5-7,12H2,1-4H3/b21-18+
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n/an/a 20n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to calcium channels in the rat brain.


J Med Chem 31: 1659-64 (1988)


Article DOI: 10.1021/jm00403a030
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50229269
PNG
(CHEMBL72696)
Show SMILES CCO\C(O)=C1\C(C(C(=O)OCC)=C(C)N=C1C[S+]([O-])c1ccc(OC)cc1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C27H28F3NO6S/c1-5-36-25(32)22-16(3)31-21(15-38(34)18-13-11-17(35-4)12-14-18)24(26(33)37-6-2)23(22)19-9-7-8-10-20(19)27(28,29)30/h7-14,23,33H,5-6,15H2,1-4H3/b26-24+
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n/an/a 21n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Affinity to bind dihydropyridine receptor (DHP receptor) by inhibiting the radioligand [3H]nitrendipine


J Med Chem 34: 2248-60 (1991)


Article DOI: 10.1021/jm00111a047
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50227621
PNG
(CHEMBL46452)
Show SMILES CCO\C(O)=C1\[C@H]([C@H](C(=O)OCC)\C(=C\C(=O)c2ccncc2)N=C1C)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H25F3N2O5/c1-4-35-24(33)21-15(3)31-19(14-20(32)16-10-12-30-13-11-16)23(25(34)36-5-2)22(21)17-8-6-7-9-18(17)26(27,28)29/h6-14,22-23,33H,4-5H2,1-3H3/b19-14-,24-21+/t22-,23-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to calcium channels in the rat brain.


J Med Chem 31: 1659-64 (1988)


Article DOI: 10.1021/jm00403a030
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50229288
PNG
(CHEMBL75494)
Show SMILES CCO\C(O)=C1\C(C(C(=O)OCC)=C(C)N=C1C[S+]([O-])c1ccccc1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H26F3NO5S/c1-4-34-24(31)21-16(3)30-20(15-36(33)17-11-7-6-8-12-17)23(25(32)35-5-2)22(21)18-13-9-10-14-19(18)26(27,28)29/h6-14,22,32H,4-5,15H2,1-3H3/b25-23+
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n/an/a 27n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Affinity to bind dihydropyridine receptor (DHP receptor) by inhibiting the radioligand [3H]nitrendipine


J Med Chem 34: 2248-60 (1991)


Article DOI: 10.1021/jm00111a047
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50227619
PNG
(CHEMBL44275)
Show SMILES CCO\C(O)=C1\[C@H]([C@H](C(=O)OCC)\C(=C\C(=O)c2ccccc2)N=C1C)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C26H25Cl2NO5/c1-4-33-25(31)21-15(3)29-19(14-20(30)16-10-7-6-8-11-16)23(26(32)34-5-2)22(21)17-12-9-13-18(27)24(17)28/h6-14,22-23,31H,4-5H2,1-3H3/b19-14-,25-21+/t22-,23-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to calcium channels in the rat brain.


J Med Chem 31: 1659-64 (1988)


Article DOI: 10.1021/jm00403a030
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50227627
PNG
(CHEMBL295323)
Show SMILES CCO\C(O)=C1\[C@H]([C@H](C(=O)OCC)\C(=C\C(=O)c2ccccc2)N=C1C)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C26H26N2O7/c1-4-34-25(30)22-16(3)27-19(15-21(29)17-11-7-6-8-12-17)24(26(31)35-5-2)23(22)18-13-9-10-14-20(18)28(32)33/h6-15,23-24,30H,4-5H2,1-3H3/b19-15-,25-22+/t23-,24-/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to calcium channels in the rat brain.


J Med Chem 31: 1659-64 (1988)


Article DOI: 10.1021/jm00403a030
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50227615
PNG
(CHEMBL46590)
Show SMILES CCO\C(O)=C1\[C@H]([C@H](C(=O)OCC)\C(=C\C(=O)c2ccc(cc2)N(C)C)N=C1C)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C29H31F3N2O5/c1-6-38-27(36)24-17(3)33-22(16-23(35)18-12-14-19(15-13-18)34(4)5)26(28(37)39-7-2)25(24)20-10-8-9-11-21(20)29(30,31)32/h8-16,25-26,36H,6-7H2,1-5H3/b22-16-,27-24+/t25-,26-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to calcium channels in the rat brain.


J Med Chem 31: 1659-64 (1988)


Article DOI: 10.1021/jm00403a030
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50229332
PNG
(CHEMBL72341)
Show SMILES CCO\C(O)=C1\C(C(C(=O)OCC)=C(C)N=C1CSc1ccncc1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H25F3N2O4S/c1-4-33-23(31)20-15(3)30-19(14-35-16-10-12-29-13-11-16)22(24(32)34-5-2)21(20)17-8-6-7-9-18(17)25(26,27)28/h6-13,21,32H,4-5,14H2,1-3H3/b24-22+
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n/an/a 33n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Affinity to bind dihydropyridine receptor (DHP receptor) by inhibiting the radioligand [3H]nitrendipine


J Med Chem 34: 2248-60 (1991)


Article DOI: 10.1021/jm00111a047
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50229310
PNG
(CHEMBL73583)
Show SMILES CCO\C(O)=C1\C(C(C(=O)OC)=C(C)N=C1CSc1ccccc1Cl)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H23ClF3NO4S/c1-4-34-24(32)22-18(13-35-19-12-8-7-11-17(19)26)30-14(2)20(23(31)33-3)21(22)15-9-5-6-10-16(15)25(27,28)29/h5-12,21,32H,4,13H2,1-3H3/b24-22+
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n/an/a 36n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Affinity to bind dihydropyridine receptor (DHP receptor) by inhibiting the radioligand [3H]nitrendipine


J Med Chem 34: 2248-60 (1991)


Article DOI: 10.1021/jm00111a047
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50229270
PNG
(CHEMBL306566)
Show SMILES CCO\C(O)=C1\C(C(C(=O)OCC)=C(C)N=C1C[S+]([O-])c1ccncc1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H25F3N2O5S/c1-4-34-23(31)20-15(3)30-19(14-36(33)16-10-12-29-13-11-16)22(24(32)35-5-2)21(20)17-8-6-7-9-18(17)25(26,27)28/h6-13,21,32H,4-5,14H2,1-3H3/b24-22+
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n/an/a 37n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Affinity to bind dihydropyridine receptor (DHP receptor) by inhibiting the radioligand [3H]nitrendipine


J Med Chem 34: 2248-60 (1991)


Article DOI: 10.1021/jm00111a047
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(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 42n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]nitrendipine from calcium channel receptor


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


(Rattus norvegicus)
BDBM50229275
PNG
(CHEMBL74461)
Show SMILES CCO\C(O)=C1\C(C(C(=O)OCC)=C(C)N=C1CSc1ccccc1C)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C27H28F3NO4S/c1-5-34-25(32)22-17(4)31-20(15-36-21-14-10-7-11-16(21)3)24(26(33)35-6-2)23(22)18-12-8-9-13-19(18)27(28,29)30/h7-14,23,33H,5-6,15H2,1-4H3/b26-24+
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n/an/a 49n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Affinity to bind dihydropyridine receptor (DHP receptor) by inhibiting the radioligand [3H]nitrendipine


J Med Chem 34: 2248-60 (1991)


Article DOI: 10.1021/jm00111a047
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50229312
PNG
(CHEMBL431564)
Show SMILES CCO\C(O)=C1\C(C(C(=O)OCC)=C(C)N=C1CSc1ccccn1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H25F3N2O4S/c1-4-33-23(31)20-15(3)30-18(14-35-19-12-8-9-13-29-19)22(24(32)34-5-2)21(20)16-10-6-7-11-17(16)25(26,27)28/h6-13,21,32H,4-5,14H2,1-3H3/b24-22+
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n/an/a 51n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Affinity to bind dihydropyridine receptor (DHP receptor) by inhibiting the radioligand [3H]nitrendipine


J Med Chem 34: 2248-60 (1991)


Article DOI: 10.1021/jm00111a047
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(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 53n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]nitrendipine from calcium channel receptor


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


(Rattus norvegicus)
BDBM50229281
PNG
(CHEMBL74405)
Show SMILES CCO\C(O)=C1\C(C(C#N)=C(C)N=C1CSc1ccc(Cl)c(Cl)c1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C24H19Cl2F3N2O2S/c1-3-33-23(32)22-20(12-34-14-8-9-18(25)19(26)10-14)31-13(2)16(11-30)21(22)15-6-4-5-7-17(15)24(27,28)29/h4-10,21,32H,3,12H2,1-2H3/b23-22+
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n/an/a 69n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Affinity to bind dihydropyridine receptor (DHP receptor) by inhibiting the radioligand [3H]nitrendipine


J Med Chem 34: 2248-60 (1991)


Article DOI: 10.1021/jm00111a047
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50229330
PNG
(CHEMBL308817)
Show SMILES CCO\C(O)=C1\C(C(C#N)=C(C)N=C1CSc1ccc(OC)cc1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H23F3N2O3S/c1-4-33-24(31)23-21(14-34-17-11-9-16(32-3)10-12-17)30-15(2)19(13-29)22(23)18-7-5-6-8-20(18)25(26,27)28/h5-12,22,31H,4,14H2,1-3H3/b24-23+
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n/an/a 71n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Affinity to bind dihydropyridine receptor (DHP receptor) by inhibiting the radioligand [3H]nitrendipine


J Med Chem 34: 2248-60 (1991)


Article DOI: 10.1021/jm00111a047
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50229244
PNG
(CHEMBL70607)
Show SMILES CCO\C(O)=C1\C(C(C#N)=C(C)N=C1CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C24H20ClF3N2O4S/c1-3-34-23(31)22-20(13-35(32,33)16-10-8-15(25)9-11-16)30-14(2)18(12-29)21(22)17-6-4-5-7-19(17)24(26,27)28/h4-11,21,31H,3,13H2,1-2H3/b23-22+
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n/an/a 91n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Affinity to bind dihydropyridine receptor (DHP receptor) by inhibiting the radioligand [3H]nitrendipine


J Med Chem 34: 2248-60 (1991)


Article DOI: 10.1021/jm00111a047
More data for this
Ligand-Target Pair
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