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Compile Data Set for Download or QSAR

Found 403 hits Enz. Inhib. hit(s) with Target = 'Calcium channel' AND taxid = 10116   
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
Calcium channel


(RAT)
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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0.130n/an/an/an/an/an/an/an/a



University of Arizona

Curated by PDSP Ki Database




Life Sci 30: 2191-202 (1982)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
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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0.210n/an/an/an/an/an/an/an/a



University of Arizona

Curated by PDSP Ki Database




Life Sci 30: 2191-202 (1982)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
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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0.230n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




Psychopharmacology (Berl) 124: 57-73 (1996)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM82056
PNG
(CAS_4499 | NSC_4499 | Nisoldipine)
Show SMILES COC(=O)C1C(C(C(=O)OCC(C)C)=C(C)N=C1C)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/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/h6-9,11,16,18H,10H2,1-5H3
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0.330n/an/an/an/an/an/an/an/a



University of Arizona

Curated by PDSP Ki Database




Life Sci 30: 2191-202 (1982)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
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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0.350n/an/an/an/an/an/an/an/a



University of Arizona

Curated by PDSP Ki Database




Life Sci 30: 2191-202 (1982)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM82056
PNG
(CAS_4499 | NSC_4499 | Nisoldipine)
Show SMILES COC(=O)C1C(C(C(=O)OCC(C)C)=C(C)N=C1C)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/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/h6-9,11,16,18H,10H2,1-5H3
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0.5n/an/an/an/an/an/an/an/a



University of Arizona

Curated by PDSP Ki Database




Life Sci 30: 2191-202 (1982)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50318493
PNG
(3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-n...)
Show SMILES COCCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C
Show InChI InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,18-19H,9-10H2,1-5H3
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0.560n/an/an/an/an/an/an/an/a



University of Arizona

Curated by PDSP Ki Database




Life Sci 30: 2191-202 (1982)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
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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0.600n/an/an/an/an/an/an/an/a



University of Arizona

Curated by PDSP Ki Database




Life Sci 30: 2191-202 (1982)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50318493
PNG
(3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-n...)
Show SMILES COCCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C
Show InChI InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,18-19H,9-10H2,1-5H3
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0.790n/an/an/an/an/an/an/an/a



University of Arizona

Curated by PDSP Ki Database




Life Sci 30: 2191-202 (1982)

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


(Rattus norvegicus)
BDBM50018796
PNG
(2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES COC([O-])=C1C(C(C(=[OH+])OC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-6-5-7-12(8-11)19(22)23/h5-8,15,20H,1-4H3
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1.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


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


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


(Rattus norvegicus)
BDBM50336640
PNG
((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,13,15H,1-4H3
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1.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
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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1.76n/an/an/an/an/an/an/an/a



Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 237: 731-8 (1986)

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


(Rattus norvegicus)
BDBM79180
PNG
(2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methy...)
Show SMILES CCOC(=O)C1=C(COCCN)N=C(C)C(C1c1ccccc1Cl)C(=O)OC
Show InChI InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,16-17H,4,9-11,22H2,1-3H3
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2n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against rat L-type calcium channel


Bioorg Med Chem Lett 9: 2843-8 (1999)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
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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2.06n/an/an/an/an/an/an/an/a



Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 237: 731-8 (1986)

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


(Rattus norvegicus)
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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2.20n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-PN200-110 binding from calcium channels of rat cardiac membranes.


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


(Rattus norvegicus)
BDBM50042753
PNG
(2,6-Dimethyl-4-(2-trifluoromethyl-phenyl)-1,4-dihy...)
Show SMILES CCCCOC(=O)C1=C(C)N=C(C)C(C1c1ccccc1C(F)(F)F)C(=O)OC
Show InChI InChI=1S/C21H24F3NO4/c1-5-6-11-29-20(27)17-13(3)25-12(2)16(19(26)28-4)18(17)14-9-7-8-10-15(14)21(22,23)24/h7-10,16,18H,5-6,11H2,1-4H3
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2.20n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes


J Med Chem 36: 3743-5 (1994)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50318493
PNG
(3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-n...)
Show SMILES COCCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C
Show InChI InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,18-19H,9-10H2,1-5H3
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2.28n/an/an/an/an/an/an/an/a



Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 237: 731-8 (1986)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM82057
PNG
(CAS_107928 | CAS_65832 | D888,(+) | D888,(-) | NSC...)
Show SMILES COc1cccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C26H36N2O3/c1-20(2)26(19-27,22-11-12-24(30-5)25(18-22)31-6)14-8-15-28(3)16-13-21-9-7-10-23(17-21)29-4/h7,9-12,17-18,20H,8,13-16H2,1-6H3
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2.40n/an/an/an/an/an/an/an/a



Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 237: 731-8 (1986)

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


(Rattus norvegicus)
BDBM50042754
PNG
(2,6-Dimethyl-4-(2-trifluoromethyl-phenyl)-1,4-dihy...)
Show SMILES CCCCCCCCOC(=O)C1=C(C)N=C(C)C(C1c1ccccc1C(F)(F)F)C(=O)OC
Show InChI InChI=1S/C25H32F3NO4/c1-5-6-7-8-9-12-15-33-24(31)21-17(3)29-16(2)20(23(30)32-4)22(21)18-13-10-11-14-19(18)25(26,27)28/h10-11,13-14,20,22H,5-9,12,15H2,1-4H3
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2.40n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes


J Med Chem 36: 3743-5 (1994)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM82056
PNG
(CAS_4499 | NSC_4499 | Nisoldipine)
Show SMILES COC(=O)C1C(C(C(=O)OCC(C)C)=C(C)N=C1C)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/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/h6-9,11,16,18H,10H2,1-5H3
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2.79n/an/an/an/an/an/an/an/a



Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 237: 731-8 (1986)

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


(Rattus norvegicus)
BDBM50336640
PNG
((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,13,15H,1-4H3
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3.5n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes


J Med Chem 36: 3743-5 (1994)

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


(Rattus norvegicus)
BDBM50072809
PNG
(4-[2-(4-Cyano-furazan-3-ylmethoxy)-phenyl]-2,6-dim...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1OCc1nonc1C#N
Show InChI InChI=1S/C21H20N4O6/c1-11-17(20(26)28-3)19(18(12(2)23-11)21(27)29-4)13-7-5-6-8-16(13)30-10-15-14(9-22)24-31-25-15/h5-8,17,19H,10H2,1-4H3
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4.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


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


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


(Rattus norvegicus)
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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5.60n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-PN200-110 binding from calcium channels of rat cardiac membranes.


Citation and Details
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM26948
PNG
(8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-tr...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)
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7.5n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




Psychopharmacology (Berl) 124: 57-73 (1996)

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


(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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8.30n/an/an/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Calcium antagonistic activity by measuring [3H]-nitrendipine displacement from rat heart L-type [Ca2+] channel


J Med Chem 38: 4393-410 (1995)

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


(Rattus norvegicus)
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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8.70n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-PN200-110 binding from calcium channels of rat 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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9n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to membrane homogenates of of rat cardiac muscle.


J Med Chem 38: 3681-716 (1995)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM82057
PNG
(CAS_107928 | CAS_65832 | D888,(+) | D888,(-) | NSC...)
Show SMILES COc1cccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C26H36N2O3/c1-20(2)26(19-27,22-11-12-24(30-5)25(18-22)31-6)14-8-15-28(3)16-13-21-9-7-10-23(17-21)29-4/h7,9-12,17-18,20H,8,13-16H2,1-6H3
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9.10n/an/an/an/an/an/an/an/a



Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 237: 731-8 (1986)

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


(Rattus norvegicus)
BDBM50030617
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-pyridine-3,5-dicar...)
Show SMILES Cc1nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c(-c2ccc(cc2)[N+]([O-])=O)c1C(N)=O
Show InChI InChI=1S/C35H37N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)
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>10n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to membrane homogenates of of rat cardiac muscle.


J Med Chem 38: 3681-716 (1995)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
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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10.6n/an/an/an/an/an/an/an/a



University of Arizona

Curated by PDSP Ki Database




Life Sci 30: 2191-202 (1982)

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


(Rattus norvegicus)
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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11n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-PN200-110 binding from calcium channels of rat cardiac membranes.


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


(Rattus norvegicus)
BDBM50042748
PNG
(2,6-Dimethyl-4-(2-trifluoromethyl-phenyl)-1,4-dihy...)
Show SMILES CCCCCCCCCCOC(=O)C1=C(C)N=C(C)C(C1c1ccccc1C(F)(F)F)C(=O)OC
Show InChI InChI=1S/C27H36F3NO4/c1-5-6-7-8-9-10-11-14-17-35-26(33)23-19(3)31-18(2)22(25(32)34-4)24(23)20-15-12-13-16-21(20)27(28,29)30/h12-13,15-16,22,24H,5-11,14,17H2,1-4H3
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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](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes


J Med Chem 36: 3743-5 (1994)

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


(Rattus norvegicus)
BDBM50042756
PNG
(2,6-Dimethyl-4-(2-trifluoromethyl-phenyl)-1,4-dihy...)
Show SMILES CCCCCCCCCCCCCCOC(=O)C1=C(C)N=C(C)C(C1c1ccccc1C(F)(F)F)C(=O)OC
Show InChI InChI=1S/C31H44F3NO4/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-39-30(37)27-23(3)35-22(2)26(29(36)38-4)28(27)24-19-16-17-20-25(24)31(32,33)34/h16-17,19-20,26,28H,5-15,18,21H2,1-4H3
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16n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes


J Med Chem 36: 3743-5 (1994)

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


(Rattus norvegicus)
BDBM50042752
PNG
(CHEMBL122740 | {12-[5-Methoxycarbonyl-2,6-dimethyl...)
Show SMILES COC(=O)C1C(C(C(=O)OCCCCCCCCCCCC[N+](C)(C)C)=C(C)N=C1C)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C32H48F3N2O4/c1-23-27(30(38)40-6)29(25-19-15-16-20-26(25)32(33,34)35)28(24(2)36-23)31(39)41-22-18-14-12-10-8-7-9-11-13-17-21-37(3,4)5/h15-16,19-20,27,29H,7-14,17-18,21-22H2,1-6H3/q+1
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17n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes


J Med Chem 36: 3743-5 (1994)

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


(Rattus norvegicus)
BDBM50042758
PNG
(2,6-Dimethyl-4-(2-trifluoromethyl-phenyl)-1,4-dihy...)
Show SMILES CCCCCCCCCCCCOC(=O)C1=C(C)N=C(C)C(C1c1ccccc1C(F)(F)F)C(=O)OC
Show InChI InChI=1S/C29H40F3NO4/c1-5-6-7-8-9-10-11-12-13-16-19-37-28(35)25-21(3)33-20(2)24(27(34)36-4)26(25)22-17-14-15-18-23(22)29(30,31)32/h14-15,17-18,24,26H,5-13,16,19H2,1-4H3
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17n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes


J Med Chem 36: 3743-5 (1994)

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


(Rattus norvegicus)
BDBM50042750
PNG
(CHEMBL410937 | {8-[5-Methoxycarbonyl-2,6-dimethyl-...)
Show SMILES COC(=O)C1C(C(C(=O)OCCCCCCCC[N+](C)(C)C)=C(C)N=C1C)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C28H40F3N2O4/c1-19-23(26(34)36-6)25(21-15-11-12-16-22(21)28(29,30)31)24(20(2)32-19)27(35)37-18-14-10-8-7-9-13-17-33(3,4)5/h11-12,15-16,23,25H,7-10,13-14,17-18H2,1-6H3/q+1
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17n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes


J Med Chem 36: 3743-5 (1994)

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


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



Universit£ degli Studi di Torino

Curated by ChEMBL


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


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


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



Universit£ degli Studi di Torino

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
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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21.4n/an/an/an/an/an/an/an/a



Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 237: 731-8 (1986)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
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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22.5n/an/an/an/an/an/an/an/a



Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 237: 731-8 (1986)

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


(Rattus norvegicus)
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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25n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-PN200-110 binding from calcium channels of rat cardiac membranes.


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


(Rattus norvegicus)
BDBM50029415
PNG
((6-Chloro-4,4-diphenyl-4H-benzo[b]pyrrolo[1,2-d][1...)
Show SMILES CN(C)Cc1ccc2n1-c1cccc(Cl)c1SC2(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H23ClN2S/c1-28(2)18-21-16-17-24-26(19-10-5-3-6-11-19,20-12-7-4-8-13-20)30-25-22(27)14-9-15-23(25)29(21)24/h3-17H,18H2,1-2H3
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26n/an/an/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Calcium antagonistic activity by measuring [3H]-nitrendipine displacement from rat heart L-type [Ca2+] channel


J Med Chem 38: 4393-410 (1995)

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


(Rattus norvegicus)
BDBM50072803
PNG
(2,6-Dimethyl-4-[2-(4-methyl-furazan-3-ylmethoxy)-p...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1OCc1nonc1C
Show InChI InChI=1S/C21H23N3O6/c1-11-15(24-30-23-11)10-29-16-9-7-6-8-14(16)19-17(20(25)27-4)12(2)22-13(3)18(19)21(26)28-5/h6-9,17,19H,10H2,1-5H3
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27n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


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


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


(Rattus norvegicus)
BDBM50072814
PNG
(4-[2-(4-Cyano-2-oxy-furazan-3-ylmethoxy)-phenyl]-2...)
Show SMILES COC(=O)C1=C(C)[N-]C(C)=C(C1c1ccccc1OCc1c(no[n+]1[O-])C#N)C(=[OH+])OC
Show InChI InChI=1S/C21H20N4O7/c1-11-17(20(26)29-3)19(18(12(2)23-11)21(27)30-4)13-7-5-6-8-16(13)31-10-15-14(9-22)24-32-25(15)28/h5-8,19H,10H2,1-4H3,(H,23,26,27)
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30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


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


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


(Rattus norvegicus)
BDBM50030621
PNG
(5-[3-(4,4-Diphenyl-piperidin-1-yl)-propylcarbamoyl...)
Show SMILES COC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C36H38N4O5/c1-25-31(33(32(26(2)38-25)35(42)45-3)27-12-10-17-30(24-27)40(43)44)34(41)37-20-11-21-39-22-18-36(19-23-39,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24H,11,18-23H2,1-3H3,(H,37,41)
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30n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to membrane homogenates of of rat cardiac muscle.


J Med Chem 38: 3681-716 (1995)

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


(Rattus norvegicus)
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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30n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-PN200-110 binding from calcium channels of rat cardiac membranes.


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


(Rattus norvegicus)
BDBM50072810
PNG
(2,6-Dimethyl-4-[2-(4-methyl-2-oxy-furazan-3-ylmeth...)
Show SMILES COC(=O)C1=C(C)[N-]C(C)=C(C1c1ccccc1OCc1c(C)no[n+]1[O-])C(=[OH+])OC
Show InChI InChI=1S/C21H23N3O7/c1-11-15(24(27)31-23-11)10-30-16-9-7-6-8-14(16)19-17(20(25)28-4)12(2)22-13(3)18(19)21(26)29-5/h6-9,19H,10H2,1-5H3,(H,22,25,26)
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32n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


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


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


(Rattus norvegicus)
BDBM50029424
PNG
((3aR,4R)-4-(4-Methoxy-phenyl)-2,3,3a,4-tetrahydro-...)
Show SMILES COc1ccc(cc1)[C@H]1Sc2ccccc2N2[C@@H]1CCC2=O
Show InChI InChI=1S/C18H17NO2S/c1-21-13-8-6-12(7-9-13)18-15-10-11-17(20)19(15)14-4-2-3-5-16(14)22-18/h2-9,15,18H,10-11H2,1H3/t15-,18-/m1/s1
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35n/an/an/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Calcium antagonistic activity by measuring [3H]-nitrendipine displacement from rat heart L-type [Ca2+] channel


J Med Chem 38: 4393-410 (1995)

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


(Rattus norvegicus)
BDBM50072816
PNG
(2,6-Dimethyl-4-[2-(2-nitrooxy-ethoxy)-phenyl]-1,4-...)
Show SMILES COC([O-])=C1C(C(C(=[OH+])OC)=C(C)N=C1C)c1ccccc1OCCO[N+]([O-])=O
Show InChI InChI=1S/C19H22N2O8/c1-11-15(18(22)26-3)17(16(12(2)20-11)19(23)27-4)13-7-5-6-8-14(13)28-9-10-29-21(24)25/h5-8,17,22H,9-10H2,1-4H3
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38n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
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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38n/an/an/an/an/an/an/an/a



University of Arizona

Curated by PDSP Ki Database




Life Sci 30: 2191-202 (1982)

More data for this
Ligand-Target Pair
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