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Compile Data Set for Download or QSAR

Found 395 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
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

BindingDB Entry DOI: 10.7270/Q2F47RB8
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
BindingDB Entry DOI: 10.7270/Q2QF8W3R
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50469633
PNG
(CHEMBL21906)
Show SMILES O=C1CCC2C(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
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0.290n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibitory constant against calcium channel receptors (CCRs) from rat cortex homogenate


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80337-1
BindingDB Entry DOI: 10.7270/Q2F47RV0
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
BindingDB Entry DOI: 10.7270/Q2QF8W3R
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
BindingDB Entry DOI: 10.7270/Q2QF8W3R
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
BindingDB Entry DOI: 10.7270/Q2QF8W3R
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
BindingDB Entry DOI: 10.7270/Q2QF8W3R
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50053877
PNG
(Allyl-(9-allyl-2-{4-[2,2-bis-(4-fluoro-phenyl)-eth...)
Show SMILES Fc1ccc(cc1)C(CNC1CCN(CC1)c1nc(NCC=C)c2ncn(CC=C)c2n1)c1ccc(F)cc1
Show InChI InChI=1S/C30H33F2N7/c1-3-15-33-28-27-29(39(16-4-2)20-35-27)37-30(36-28)38-17-13-25(14-18-38)34-19-26(21-5-9-23(31)10-6-21)22-7-11-24(32)12-8-22/h3-12,20,25-26,34H,1-2,13-19H2,(H,33,36,37)
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5n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
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

BindingDB Entry DOI: 10.7270/Q2F47RB8
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
BindingDB Entry DOI: 10.7270/Q2QF8W3R
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50053873
PNG
(Allyl-(9-allyl-2-{4-[(2-methoxy-10,11-dihydro-5H-d...)
Show SMILES COc1ccc2C(CNC3CCN(CC3)c3nc(NCC=C)c4ncn(CC=C)c4n3)c3ccccc3CCc2c1
Show InChI InChI=1S/C33H39N7O/c1-4-16-34-31-30-32(40(17-5-2)22-36-30)38-33(37-31)39-18-14-25(15-19-39)35-21-29-27-9-7-6-8-23(27)10-11-24-20-26(41-3)12-13-28(24)29/h4-9,12-13,20,22,25,29,35H,1-2,10-11,14-19,21H2,3H3,(H,34,37,38)
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12n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
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
BindingDB Entry DOI: 10.7270/Q2QF8W3R
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

BindingDB Entry DOI: 10.7270/Q2F47RB8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
Inhibitory constant against calcium channel receptors (CCRs)


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80337-1
BindingDB Entry DOI: 10.7270/Q2F47RV0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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

BindingDB Entry DOI: 10.7270/Q2F47RB8
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(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)
BDBM50053900
PNG
(Allyl-(9-allyl-2-{4-[(10,11-dihydro-5H-dibenzo[a,d...)
Show SMILES C=CCNc1nc(nc2n(CC=C)cnc12)N1CCC(CC1)NCC1Cc2ccccc2Cc2ccccc12
Show InChI InChI=1S/C32H37N7/c1-3-15-33-30-29-31(39(16-4-2)22-35-29)37-32(36-30)38-17-13-27(14-18-38)34-21-26-20-24-10-6-5-9-23(24)19-25-11-7-8-12-28(25)26/h3-12,22,26-27,34H,1-2,13-21H2,(H,33,36,37)
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46n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50053872
PNG
(Allyl-(2-{4-[(10,11-dihydro-5H-dibenzo[a,d]cyclohe...)
Show SMILES CCCn1cnc2c(NCC=C)nc(nc12)N1CCC(CC1)NCC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C32H39N7/c1-3-17-33-30-29-31(39(18-4-2)22-35-29)37-32(36-30)38-19-15-25(16-20-38)34-21-28-26-11-7-5-9-23(26)13-14-24-10-6-8-12-27(24)28/h3,5-12,22,25,28,34H,1,4,13-21H2,2H3,(H,33,36,37)
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48n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
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
BindingDB Entry DOI: 10.7270/Q2QF8W3R
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

BindingDB Entry DOI: 10.7270/Q2F47RB8
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM81939
PNG
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
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58n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50473868
PNG
(CHEMBL339108)
Show SMILES CC1(C)[C@H]2Cc3c(O)cccc3C1(C)CCN2CCOCc1ccccc1
Show InChI InChI=1S/C24H31NO2/c1-23(2)22-16-19-20(10-7-11-21(19)26)24(23,3)12-13-25(22)14-15-27-17-18-8-5-4-6-9-18/h4-11,22,26H,12-17H2,1-3H3/t22-,24?/m1/s1
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60n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
Displacement of verapamil from L-type calcium channel binding site


J Med Chem 45: 3755-64 (2002)


Article DOI: 10.1021/jm020875j
BindingDB Entry DOI: 10.7270/Q2ZS308Z
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50053892
PNG
(Allyl-(9-allyl-2-{4-[(6,7,8,9-tetrahydro-5H-benzoc...)
Show SMILES C=CCNc1nc(nc2n(CC=C)cnc12)N1CCC(CC1)NCC1CCCCc2ccccc12
Show InChI InChI=1S/C28H37N7/c1-3-15-29-26-25-27(35(16-4-2)20-31-25)33-28(32-26)34-17-13-23(14-18-34)30-19-22-11-6-5-9-21-10-7-8-12-24(21)22/h3-4,7-8,10,12,20,22-23,30H,1-2,5-6,9,11,13-19H2,(H,29,32,33)
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62n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50053880
PNG
(Allyl-(9-allyl-6-{4-[(10,11-dihydro-5H-dibenzo[a,d...)
Show SMILES C=CCNc1nc(N2CCC(CC2)NCC2c3ccccc3CCc3ccccc23)c2ncn(CC=C)c2n1
Show InChI InChI=1S/C32H37N7/c1-3-17-33-32-36-30(29-31(37-32)39(18-4-2)22-35-29)38-19-15-25(16-20-38)34-21-28-26-11-7-5-9-23(26)13-14-24-10-6-8-12-27(24)28/h3-12,22,25,28,34H,1-2,13-21H2,(H,33,36,37)
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62n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50053891
PNG
((9-Allyl-2-{4-[(10,11-dihydro-5H-dibenzo[a,d]cyclo...)
Show SMILES CCCNc1nc(nc2n(CC=C)cnc12)N1CCC(CC1)NCC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C32H39N7/c1-3-17-33-30-29-31(39(18-4-2)22-35-29)37-32(36-30)38-19-15-25(16-20-38)34-21-28-26-11-7-5-9-23(26)13-14-24-10-6-8-12-27(24)28/h4-12,22,25,28,34H,2-3,13-21H2,1H3,(H,33,36,37)
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84n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
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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85n/an/an/an/an/an/an/an/a



Universita degli Studi di Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diltiazem from L-type calcium channel in Sprague-Dawley rat cardiac myocytes by liquid scintillation counting


J Med Chem 52: 2352-62 (2009)


Article DOI: 10.1021/jm801351u
BindingDB Entry DOI: 10.7270/Q2MP562C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Voltage-dependent L-type calcium channel subunit alpha-1S


(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)
BDBM50053885
PNG
(Allyl-(9-allyl-2-{4-[(8-chloro-11-methyl-10,10-dio...)
Show SMILES CN1c2ccccc2C(CNC2CCN(CC2)c2nc(NCC=C)c3ncn(CC=C)c3n2)c2ccc(Cl)cc2S1(=O)=O
Show InChI InChI=1S/C31H35ClN8O2S/c1-4-14-33-29-28-30(40(15-5-2)20-35-28)37-31(36-29)39-16-12-22(13-17-39)34-19-25-23-8-6-7-9-26(23)38(3)43(41,42)27-18-21(32)10-11-24(25)27/h4-11,18,20,22,25,34H,1-2,12-17,19H2,3H3,(H,33,36,37)
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87n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50053888
PNG
(CHEMBL85156 | N,N'-Diallyl-6-{4-[2,2-bis-(4-fluoro...)
Show SMILES Fc1ccc(cc1)C(CNC1CCN(CC1)c1nc(NCC=C)nc(NCC=C)n1)c1ccc(F)cc1
Show InChI InChI=1S/C28H33F2N7/c1-3-15-31-26-34-27(32-16-4-2)36-28(35-26)37-17-13-24(14-18-37)33-19-25(20-5-9-22(29)10-6-20)21-7-11-23(30)12-8-21/h3-12,24-25,33H,1-2,13-19H2,(H2,31,32,34,35,36)
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89n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50053871
PNG
(Allyl-(9-allyl-6-{4-[(5H-dibenzo[a,d]cyclohepten-5...)
Show SMILES C=CCNc1nc(N2CCC(CC2)NCC2c3ccccc3C=Cc3ccccc23)c2ncn(CC=C)c2n1
Show InChI InChI=1S/C32H35N7/c1-3-17-33-32-36-30(29-31(37-32)39(18-4-2)22-35-29)38-19-15-25(16-20-38)34-21-28-26-11-7-5-9-23(26)13-14-24-10-6-8-12-27(24)28/h3-14,22,25,28,34H,1-2,15-21H2,(H,33,36,37)
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90n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50053896
PNG
(Allyl-(9-allyl-6-{4-[(6,11-dihydro-dibenzo[b,e]oxe...)
Show SMILES C=CCNc1nc(N2CCC(CC2)NCC2c3ccccc3COc3ccccc23)c2ncn(CC=C)c2n1
Show InChI InChI=1S/C31H35N7O/c1-3-15-32-31-35-29(28-30(36-31)38(16-4-2)21-34-28)37-17-13-23(14-18-37)33-19-26-24-10-6-5-9-22(24)20-39-27-12-8-7-11-25(26)27/h3-12,21,23,26,33H,1-2,13-20H2,(H,32,35,36)
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93n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50053895
PNG
(Allyl-(9-allyl-2-{4-[(2,3,4-trimethoxy-10,11-dihyd...)
Show SMILES COc1cc2CCc3ccccc3C(CNC3CCN(CC3)c3nc(NCC=C)c4ncn(CC=C)c4n3)c2c(OC)c1OC
Show InChI InChI=1S/C35H43N7O3/c1-6-16-36-33-30-34(42(17-7-2)22-38-30)40-35(39-33)41-18-14-25(15-19-41)37-21-27-26-11-9-8-10-23(26)12-13-24-20-28(43-3)31(44-4)32(45-5)29(24)27/h6-11,20,22,25,27,37H,1-2,12-19,21H2,3-5H3,(H,36,39,40)
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99n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50053893
PNG
(Allyl-(9-allyl-6-{4-[(2-methoxy-10,11-dihydro-5H-d...)
Show SMILES COc1ccc2C(CNC3CCN(CC3)c3nc(NCC=C)nc4n(CC=C)cnc34)c3ccccc3CCc2c1
Show InChI InChI=1S/C33H39N7O/c1-4-16-34-33-37-31(30-32(38-33)40(17-5-2)22-36-30)39-18-14-25(15-19-39)35-21-29-27-9-7-6-8-23(27)10-11-24-20-26(41-3)12-13-28(24)29/h4-9,12-13,20,22,25,29,35H,1-2,10-11,14-19,21H2,3H3,(H,34,37,38)
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110n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
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

BindingDB Entry DOI: 10.7270/Q2F47RB8
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50053870
PNG
(Allyl-(9-allyl-2-{4-[(6,11-dihydro-dibenzo[b,e]oxe...)
Show SMILES C=CCNc1nc(nc2n(CC=C)cnc12)N1CCC(CC1)NCC1c2ccccc2COc2ccccc12
Show InChI InChI=1S/C31H35N7O/c1-3-15-32-29-28-30(38(16-4-2)21-34-28)36-31(35-29)37-17-13-23(14-18-37)33-19-26-24-10-6-5-9-22(24)20-39-27-12-8-7-11-25(26)27/h3-12,21,23,26,33H,1-2,13-20H2,(H,32,35,36)
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120n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50053898
PNG
(Allyl-(9-allyl-6-{4-[(8-chloro-11-methyl-10,10-dio...)
Show SMILES CN1c2ccccc2C(CNC2CCN(CC2)c2nc(NCC=C)nc3n(CC=C)cnc23)c2ccc(Cl)cc2S1(=O)=O
Show InChI InChI=1S/C31H35ClN8O2S/c1-4-14-33-31-36-29(28-30(37-31)40(15-5-2)20-35-28)39-16-12-22(13-17-39)34-19-25-23-8-6-7-9-26(23)38(3)43(41,42)27-18-21(32)10-11-24(25)27/h4-11,18,20,22,25,34H,1-2,12-17,19H2,3H3,(H,33,36,37)
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170n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50053875
PNG
(Allyl-(9-allyl-2-{4-[(5H-dibenzo[a,d]cyclohepten-5...)
Show SMILES C=CCNc1nc(nc2n(CC=C)cnc12)N1CCC(CC1)NCC1c2ccccc2C=Cc2ccccc12
Show InChI InChI=1S/C32H35N7/c1-3-17-33-30-29-31(39(18-4-2)22-35-29)37-32(36-30)38-19-15-25(16-20-38)34-21-28-26-11-7-5-9-23(26)13-14-24-10-6-8-12-27(24)28/h3-14,22,25,28,34H,1-2,15-21H2,(H,33,36,37)
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170n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
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

BindingDB Entry DOI: 10.7270/Q2F47RB8
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50053883
PNG
(Allyl-(7-allyl-2-{4-[(10,11-dihydro-5H-dibenzo[a,d...)
Show SMILES C=CCNc1nc(nc2n(CC=C)ccc12)N1CCC(CC1)NCC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C33H38N6/c1-3-18-34-31-29-17-22-38(19-4-2)32(29)37-33(36-31)39-20-15-26(16-21-39)35-23-30-27-11-7-5-9-24(27)13-14-25-10-6-8-12-28(25)30/h3-12,17,22,26,30,35H,1-2,13-16,18-21,23H2,(H,34,36,37)
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200n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50479923
PNG
(CHEMBL521744)
Show SMILES C\C(=C\SS\C=C(\C)n1c(noc1=O)C(=O)c1ccc(Br)cc1)n1c(noc1=O)C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C24H16Br2N4O6S2/c1-13(29-21(27-35-23(29)33)19(31)15-3-7-17(25)8-4-15)11-37-38-12-14(2)30-22(28-36-24(30)34)20(32)16-5-9-18(26)10-6-16/h3-12H,1-2H3/b13-11-,14-12-
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200n/an/an/an/an/an/an/an/a



Universita degli Studi di Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diltiazem from L-type calcium channel in Sprague-Dawley rat cardiac myocytes by liquid scintillation counting


J Med Chem 52: 2352-62 (2009)


Article DOI: 10.1021/jm801351u
BindingDB Entry DOI: 10.7270/Q2MP562C
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50473868
PNG
(CHEMBL339108)
Show SMILES CC1(C)[C@H]2Cc3c(O)cccc3C1(C)CCN2CCOCc1ccccc1
Show InChI InChI=1S/C24H31NO2/c1-23(2)22-16-19-20(10-7-11-21(19)26)24(23,3)12-13-25(22)14-15-27-17-18-8-5-4-6-9-18/h4-11,22,26H,12-17H2,1-3H3/t22-,24?/m1/s1
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217n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
Displacement of diltiazem from L-type calcium channel binding site


J Med Chem 45: 3755-64 (2002)


Article DOI: 10.1021/jm020875j
BindingDB Entry DOI: 10.7270/Q2ZS308Z
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50053884
PNG
(Allyl-(1-allyl-6-{4-[(10,11-dihydro-5H-dibenzo[a,d...)
Show SMILES C=CCNc1nc(nc2n(CC=C)ncc12)N1CCC(CC1)NCC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C32H37N7/c1-3-17-33-30-29-22-35-39(18-4-2)31(29)37-32(36-30)38-19-15-25(16-20-38)34-21-28-26-11-7-5-9-23(26)13-14-24-10-6-8-12-27(24)28/h3-12,22,25,28,34H,1-2,13-21H2,(H,33,36,37)
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270n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50479922
PNG
(CHEMBL489002)
Show SMILES CC1=CSC(O)(c2noc(=O)n12)c1ccc(Br)cc1
Show InChI InChI=1S/C12H9BrN2O3S/c1-7-6-19-12(17,8-2-4-9(13)5-3-8)10-14-18-11(16)15(7)10/h2-6,17H,1H3
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290n/an/an/an/an/an/an/an/a



Universita degli Studi di Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diltiazem from L-type calcium channel in Sprague-Dawley rat cardiac myocytes by liquid scintillation counting


J Med Chem 52: 2352-62 (2009)


Article DOI: 10.1021/jm801351u
BindingDB Entry DOI: 10.7270/Q2MP562C
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50471693
PNG
(CHEMBL92322)
Show SMILES CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc2ccccc2c1
Show InChI InChI=1S/C40H43N3O3/c1-28-35(37(36(29(2)42-28)39(45)46-3)32-20-19-30-13-10-11-14-31(30)27-32)38(44)41-23-12-24-43-25-21-40(22-26-43,33-15-6-4-7-16-33)34-17-8-5-9-18-34/h4-11,13-20,27,37,45H,12,21-26H2,1-3H3,(H,41,44)/b39-36+
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372n/an/an/an/an/an/an/an/a



New York University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity at the L-type [Ca2+] channel from rat brain homogenate by [3H]nitrendipine displacement.


J Med Chem 41: 2643-50 (1998)


Article DOI: 10.1021/jm980077m
BindingDB Entry DOI: 10.7270/Q24170TM
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(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
3D
3D Structure (crystal)
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50473890
PNG
(CHEMBL2111820)
Show SMILES C[C@H](CN1CCC2(C)c3cccc(O)c3C[C@@H]1C2(C)C)OCc1ccccc1
Show InChI InChI=1S/C25H33NO2/c1-18(28-17-19-9-6-5-7-10-19)16-26-14-13-25(4)21-11-8-12-22(27)20(21)15-23(26)24(25,2)3/h5-12,18,23,27H,13-17H2,1-4H3/t18-,23-,25?/m1/s1
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391n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
Displacement of diltiazem from L-type calcium channel binding site


J Med Chem 45: 3755-64 (2002)


Article DOI: 10.1021/jm020875j
BindingDB Entry DOI: 10.7270/Q2ZS308Z
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50053881
PNG
(Allyl-(1-allyl-6-{4-[(2-methoxy-10,11-dihydro-5H-d...)
Show SMILES COc1ccc2C(CNC3CCN(CC3)c3nc(NCC=C)c4cnn(CC=C)c4n3)c3ccccc3CCc2c1
Show InChI InChI=1S/C33H39N7O/c1-4-16-34-31-30-22-36-40(17-5-2)32(30)38-33(37-31)39-18-14-25(15-19-39)35-21-29-27-9-7-6-8-23(27)10-11-24-20-26(41-3)12-13-28(24)29/h4-9,12-13,20,22,25,29,35H,1-2,10-11,14-19,21H2,3H3,(H,34,37,38)
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400n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50053874
PNG
(Allyl-{9-allyl-2-[4-(2,2,2-triphenyl-ethylamino)-p...)
Show SMILES C=CCNc1nc(nc2n(CC=C)cnc12)N1CCC(CC1)NCC(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H39N7/c1-3-22-37-33-32-34(43(23-4-2)27-39-32)41-35(40-33)42-24-20-31(21-25-42)38-26-36(28-14-8-5-9-15-28,29-16-10-6-11-17-29)30-18-12-7-13-19-30/h3-19,27,31,38H,1-2,20-26H2,(H,37,40,41)
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410n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50053890
PNG
((1-Allyl-6-{4-[(2-methoxy-10,11-dihydro-5H-dibenzo...)
Show SMILES CCCNc1nc(nc2n(CC=C)ncc12)N1CCC(CC1)NCC1c2ccccc2CCc2cc(OC)ccc12
Show InChI InChI=1S/C33H41N7O/c1-4-16-34-31-30-22-36-40(17-5-2)32(30)38-33(37-31)39-18-14-25(15-19-39)35-21-29-27-9-7-6-8-23(27)10-11-24-20-26(41-3)12-13-28(24)29/h5-9,12-13,20,22,25,29,35H,2,4,10-11,14-19,21H2,1,3H3,(H,34,37,38)
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420n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50053901
PNG
(Allyl-(9-allyl-2-{4-[(naphthalen-1-ylmethyl)-amino...)
Show SMILES C=CCNc1nc(nc2n(CC=C)cnc12)N1CCC(CC1)NCc1cccc2ccccc12
Show InChI InChI=1S/C27H31N7/c1-3-14-28-25-24-26(34(15-4-2)19-30-24)32-27(31-25)33-16-12-22(13-17-33)29-18-21-10-7-9-20-8-5-6-11-23(20)21/h3-11,19,22,29H,1-2,12-18H2,(H,28,31,32)
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440n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
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