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Compile Data Set for Download or QSAR

Found 31 hits of ki for UniProtKB: P27732   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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-1D


(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 |w:2.2,c:13,t:10|
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.


J Med Chem 41: 5393-401 (1999)


Article DOI: 10.1021/jm9803267
BindingDB Entry DOI: 10.7270/Q2WM1F30
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(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 |c:13,t:10|
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.


J Med Chem 41: 5393-401 (1999)


Article DOI: 10.1021/jm9803267
BindingDB Entry DOI: 10.7270/Q2WM1F30
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S


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



Prestwick Chemical Inc.

Curated by ChEMBL


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


J Med Chem 47: 1303-14 (2004)


Article DOI: 10.1021/jm030480f
BindingDB Entry DOI: 10.7270/Q2FN16X5
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(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 |c:13,t:10|
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.


J Med Chem 41: 5393-401 (1999)


Article DOI: 10.1021/jm9803267
BindingDB Entry DOI: 10.7270/Q2WM1F30
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(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 |c:4,9|
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.


J Med Chem 41: 5393-401 (1999)


Article DOI: 10.1021/jm9803267
BindingDB Entry DOI: 10.7270/Q2WM1F30
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(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 |c:4,9|
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.


J Med Chem 41: 5393-401 (1999)


Article DOI: 10.1021/jm9803267
BindingDB Entry DOI: 10.7270/Q2WM1F30
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(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 |c:13,t:10|
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.


J Med Chem 41: 5393-401 (1999)


Article DOI: 10.1021/jm9803267
BindingDB Entry DOI: 10.7270/Q2WM1F30
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(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 |c:4,9|
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.


J Med Chem 41: 5393-401 (1999)


Article DOI: 10.1021/jm9803267
BindingDB Entry DOI: 10.7270/Q2WM1F30
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(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 |c:4,9|
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.


J Med Chem 41: 5393-401 (1999)


Article DOI: 10.1021/jm9803267
BindingDB Entry DOI: 10.7270/Q2WM1F30
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(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 |w:2.2,c:13,t:10|
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.


J Med Chem 41: 5393-401 (1999)


Article DOI: 10.1021/jm9803267
BindingDB Entry DOI: 10.7270/Q2WM1F30
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)
BDBM50072804
PNG
(4-[3-(4-Cyano-2-oxy-furazan-3-ylmethoxy)-phenyl]-2...)
Show SMILES COC(=O)C1=C(C)[N-]C(C)=C(C1c1cccc(OCc2c(no[n+]2[O-])C#N)c1)C(=[OH+])OC |c:4,9|
Show InChI InChI=1S/C21H20N4O7/c1-11-17(20(26)29-3)19(18(12(2)23-11)21(27)30-4)13-6-5-7-14(8-13)31-10-16-15(9-22)24-32-25(16)28/h5-8,19H,10H2,1-4H3,(H,23,26,27)
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220n/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.


J Med Chem 41: 5393-401 (1999)


Article DOI: 10.1021/jm9803267
BindingDB Entry DOI: 10.7270/Q2WM1F30
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)
BDBM50072817
PNG
(4-[3-(4-Cyano-5-oxy-furazan-3-ylmethoxy)-phenyl]-2...)
Show SMILES COC(=O)C1=C(C)[N-]C(C)=C(C1c1cccc(OCc2no[n+]([O-])c2C#N)c1)C(=[OH+])OC |c:4,9|
Show InChI InChI=1S/C21H20N4O7/c1-11-17(20(26)29-3)19(18(12(2)23-11)21(27)30-4)13-6-5-7-14(8-13)31-10-15-16(9-22)25(28)32-24-15/h5-8,19H,10H2,1-4H3,(H,23,26,27)
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230n/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.


J Med Chem 41: 5393-401 (1999)


Article DOI: 10.1021/jm9803267
BindingDB Entry DOI: 10.7270/Q2WM1F30
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)
BDBM50072806
PNG
(4-[3-(4-Cyano-furazan-3-ylmethoxy)-phenyl]-2,6-dim...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(OCc2nonc2C#N)c1 |c:13,t:10|
Show InChI InChI=1S/C21H20N4O6/c1-11-17(20(26)28-3)19(18(12(2)23-11)21(27)29-4)13-6-5-7-14(8-13)30-10-16-15(9-22)24-31-25-16/h5-8,17,19H,10H2,1-4H3
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270n/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.


J Med Chem 41: 5393-401 (1999)


Article DOI: 10.1021/jm9803267
BindingDB Entry DOI: 10.7270/Q2WM1F30
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)
BDBM50072813
PNG
(2,6-Dimethyl-4-[3-(4-methyl-2-oxy-furazan-3-ylmeth...)
Show SMILES COC(=O)C1=C(C)[N-]C(C)=C(C1c1cccc(OCc2c(C)no[n+]2[O-])c1)C(=[OH+])OC |c:4,9|
Show InChI InChI=1S/C21H23N3O7/c1-11-16(24(27)31-23-11)10-30-15-8-6-7-14(9-15)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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280n/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.


J Med Chem 41: 5393-401 (1999)


Article DOI: 10.1021/jm9803267
BindingDB Entry DOI: 10.7270/Q2WM1F30
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)
BDBM50072812
PNG
(2,6-Dimethyl-4-[3-(4-methyl-furazan-3-ylmethoxy)-p...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(OCc2nonc2C)c1 |c:13,t:10|
Show InChI InChI=1S/C21H23N3O6/c1-11-16(24-30-23-11)10-29-15-8-6-7-14(9-15)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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320n/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.


J Med Chem 41: 5393-401 (1999)


Article DOI: 10.1021/jm9803267
BindingDB Entry DOI: 10.7270/Q2WM1F30
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)
BDBM50072807
PNG
(4-[2-(4-Carbamoyl-2-oxy-furazan-3-ylmethoxy)-pheny...)
Show SMILES COC(=O)C1=C(C)[N-]C(C)=C(C1c1ccccc1OCc1c(no[n+]1[O-])C(N)=O)C(=[OH+])OC |c:4,9|
Show InChI InChI=1S/C21H22N4O8/c1-10-15(20(27)30-3)17(16(11(2)23-10)21(28)31-4)12-7-5-6-8-14(12)32-9-13-18(19(22)26)24-33-25(13)29/h5-8,17H,9H2,1-4H3,(H3,22,23,26,27,28)
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350n/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.


J Med Chem 41: 5393-401 (1999)


Article DOI: 10.1021/jm9803267
BindingDB Entry DOI: 10.7270/Q2WM1F30
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)
BDBM50072800
PNG
(2,6-Dimethyl-4-[3-(4-methyl-5-oxy-furazan-3-ylmeth...)
Show SMILES COC(=O)C1=C(C)[N-]C(C)=C(C1c1cccc(OCc2no[n+]([O-])c2C)c1)C(=[OH+])OC |c:4,9|
Show InChI InChI=1S/C21H23N3O7/c1-11-17(20(25)28-4)19(18(12(2)22-11)21(26)29-5)14-7-6-8-15(9-14)30-10-16-13(3)24(27)31-23-16/h6-9,19H,10H2,1-5H3,(H,22,25,26)
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370n/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.


J Med Chem 41: 5393-401 (1999)


Article DOI: 10.1021/jm9803267
BindingDB Entry DOI: 10.7270/Q2WM1F30
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)
BDBM50072801
PNG
(4-[2-(4-Carbamoyl-furazan-3-ylmethoxy)-phenyl]-2,6...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1OCc1nonc1C(N)=O |c:13,t:10|
Show InChI InChI=1S/C21H22N4O7/c1-10-15(20(27)29-3)17(16(11(2)23-10)21(28)30-4)12-7-5-6-8-14(12)31-9-13-18(19(22)26)25-32-24-13/h5-8,15,17H,9H2,1-4H3,(H2,22,26)
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400n/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.


J Med Chem 41: 5393-401 (1999)


Article DOI: 10.1021/jm9803267
BindingDB Entry DOI: 10.7270/Q2WM1F30
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)
BDBM50072802
PNG
(2,6-Dimethyl-4-[3-(2-nitrooxy-ethoxy)-phenyl]-1,4-...)
Show SMILES COC([O-])=C1C(C(C(=[OH+])OC)=C(C)N=C1C)c1cccc(OCCO[N+]([O-])=O)c1 |w:2.2,c:13,t:10|
Show InChI InChI=1S/C19H22N2O8/c1-11-15(18(22)26-3)17(16(12(2)20-11)19(23)27-4)13-6-5-7-14(10-13)28-8-9-29-21(24)25/h5-7,10,17,22H,8-9H2,1-4H3
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440n/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.


J Med Chem 41: 5393-401 (1999)


Article DOI: 10.1021/jm9803267
BindingDB Entry DOI: 10.7270/Q2WM1F30
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S


(Rattus norvegicus-RAT)
BDBM50101095
PNG
(CHEMBL3325957)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:16.14,wD:19.21,(30.28,-8.84,;31.61,-9.6,;32.93,-8.84,;31.61,-11.13,;30.28,-11.9,;28.96,-11.13,;31.04,-13.22,;32.57,-13.22,;33.33,-14.55,;33.34,-11.9,;29.52,-13.21,;30.28,-14.54,;27.99,-13.21,;23.02,-15.74,;21.53,-16.15,;20.43,-15.06,;21.14,-17.65,;20.36,-18.98,;18.83,-18.97,;18.07,-17.64,;18.83,-16.31,;20.37,-16.32,;17.16,-18.9,;15.61,-18.74,;14.99,-17.32,;15.89,-16.07,;17.44,-16.24,;18.07,-14.82,;16.92,-13.78,;16.92,-12.23,;15.58,-11.46,;14.24,-12.24,;12.91,-11.46,;14.24,-13.78,;15.58,-14.55,;22.67,-17.66,;23.44,-19,;24.98,-19.01,;25.76,-17.68,;24.99,-16.33,;23.45,-16.33,)|
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480n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


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


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
BindingDB Entry DOI: 10.7270/Q25140ZK
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)
BDBM50072815
PNG
(4-[2-(4-Carbamoyl-5-oxy-furazan-3-ylmethoxy)-pheny...)
Show SMILES COC(=O)C1=C(C)[N-]C(C)=C(C1c1ccccc1OCc1no[n+]([O-])c1C(N)=O)C(=[OH+])OC |c:4,9|
Show InChI InChI=1S/C21H22N4O8/c1-10-15(20(27)30-3)17(16(11(2)23-10)21(28)31-4)12-7-5-6-8-14(12)32-9-13-18(19(22)26)25(29)33-24-13/h5-8,17H,9H2,1-4H3,(H3,22,23,26,27,28)
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670n/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.


J Med Chem 41: 5393-401 (1999)


Article DOI: 10.1021/jm9803267
BindingDB Entry DOI: 10.7270/Q2WM1F30
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S


(Rattus norvegicus-RAT)
BDBM50101095
PNG
(CHEMBL3325957)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:16.14,wD:19.21,(30.28,-8.84,;31.61,-9.6,;32.93,-8.84,;31.61,-11.13,;30.28,-11.9,;28.96,-11.13,;31.04,-13.22,;32.57,-13.22,;33.33,-14.55,;33.34,-11.9,;29.52,-13.21,;30.28,-14.54,;27.99,-13.21,;23.02,-15.74,;21.53,-16.15,;20.43,-15.06,;21.14,-17.65,;20.36,-18.98,;18.83,-18.97,;18.07,-17.64,;18.83,-16.31,;20.37,-16.32,;17.16,-18.9,;15.61,-18.74,;14.99,-17.32,;15.89,-16.07,;17.44,-16.24,;18.07,-14.82,;16.92,-13.78,;16.92,-12.23,;15.58,-11.46,;14.24,-12.24,;12.91,-11.46,;14.24,-13.78,;15.58,-14.55,;22.67,-17.66,;23.44,-19,;24.98,-19.01,;25.76,-17.68,;24.99,-16.33,;23.45,-16.33,)|
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800n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


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


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
BindingDB Entry DOI: 10.7270/Q25140ZK
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)
BDBM50072808
PNG
(4-[3-(4-Carbamoyl-5-oxy-furazan-3-ylmethoxy)-pheny...)
Show SMILES COC(=O)C1=C(C)[N-]C(C)=C(C1c1cccc(OCc2no[n+]([O-])c2C(N)=O)c1)C(=[OH+])OC |c:4,9|
Show InChI InChI=1S/C21H22N4O8/c1-10-15(20(27)30-3)17(16(11(2)23-10)21(28)31-4)12-6-5-7-13(8-12)32-9-14-18(19(22)26)25(29)33-24-14/h5-8,17H,9H2,1-4H3,(H3,22,23,26,27,28)
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920n/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.


J Med Chem 41: 5393-401 (1999)


Article DOI: 10.1021/jm9803267
BindingDB Entry DOI: 10.7270/Q2WM1F30
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S


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



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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


J Med Chem 43: 2775-8 (2000)


BindingDB Entry DOI: 10.7270/Q2PZ582K
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)
BDBM50072819
PNG
(4-[3-(4-Carbamoyl-2-oxy-furazan-3-ylmethoxy)-pheny...)
Show SMILES COC(=O)C1=C(C)[N-]C(C)=C(C1c1cccc(OCc2c(no[n+]2[O-])C(N)=O)c1)C(=[OH+])OC |c:4,9|
Show InChI InChI=1S/C21H22N4O8/c1-10-15(20(27)30-3)17(16(11(2)23-10)21(28)31-4)12-6-5-7-13(8-12)32-9-14-18(19(22)26)24-33-25(14)29/h5-8,17H,9H2,1-4H3,(H3,22,23,26,27,28)
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1.60E+3n/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.


J Med Chem 41: 5393-401 (1999)


Article DOI: 10.1021/jm9803267
BindingDB Entry DOI: 10.7270/Q2WM1F30
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)
BDBM50072805
PNG
(4-[3-(4-Carbamoyl-furazan-3-ylmethoxy)-phenyl]-2,6...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(OCc2nonc2C(N)=O)c1 |c:13,t:10|
Show InChI InChI=1S/C21H22N4O7/c1-10-15(20(27)29-3)17(16(11(2)23-10)21(28)30-4)12-6-5-7-13(8-12)31-9-14-18(19(22)26)25-32-24-14/h5-8,15,17H,9H2,1-4H3,(H2,22,26)
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2.30E+3n/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.


J Med Chem 41: 5393-401 (1999)


Article DOI: 10.1021/jm9803267
BindingDB Entry DOI: 10.7270/Q2WM1F30
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S


(Rattus norvegicus-RAT)
BDBM50231569
PNG
(Cilansetron | KC-9946)
Show SMILES Cc1nccn1C[C@H]1CCc2c(C1=O)c1cccc3CCCn2c13
Show InChI InChI=1S/C20H21N3O/c1-13-21-9-11-22(13)12-15-7-8-17-18(20(15)24)16-6-2-4-14-5-3-10-23(17)19(14)16/h2,4,6,9,11,15H,3,5,7-8,10,12H2,1H3/t15-/m1/s1
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5.40E+3n/an/an/an/an/an/an/an/a



Solvay Duphar B.V.

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured on dopamine receptor D2 using [3H]- spiperone as radioligand.


J Med Chem 36: 3693-9 (1994)


BindingDB Entry DOI: 10.7270/Q2NS0SZH
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S


(Rattus norvegicus-RAT)
BDBM85330
PNG
(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)
Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Solvay Duphar B.V.

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of rat brain


J Med Chem 36: 3693-9 (1994)


BindingDB Entry DOI: 10.7270/Q2NS0SZH
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S


(Rattus norvegicus-RAT)
BDBM85330
PNG
(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)
Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Solvay Duphar B.V.

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured on cholecystokinin type A receptor using [3H]- CCK-8 as radioligand.


J Med Chem 36: 3693-9 (1994)


BindingDB Entry DOI: 10.7270/Q2NS0SZH
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S


(Rattus norvegicus-RAT)
BDBM50231569
PNG
(Cilansetron | KC-9946)
Show SMILES Cc1nccn1C[C@H]1CCc2c(C1=O)c1cccc3CCCn2c13
Show InChI InChI=1S/C20H21N3O/c1-13-21-9-11-22(13)12-15-7-8-17-18(20(15)24)16-6-2-4-14-5-3-10-23(17)19(14)16/h2,4,6,9,11,15H,3,5,7-8,10,12H2,1H3/t15-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Solvay Duphar B.V.

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of rat brain


J Med Chem 36: 3693-9 (1994)


BindingDB Entry DOI: 10.7270/Q2NS0SZH
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S


(Rattus norvegicus-RAT)
BDBM50101095
PNG
(CHEMBL3325957)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:16.14,wD:19.21,(30.28,-8.84,;31.61,-9.6,;32.93,-8.84,;31.61,-11.13,;30.28,-11.9,;28.96,-11.13,;31.04,-13.22,;32.57,-13.22,;33.33,-14.55,;33.34,-11.9,;29.52,-13.21,;30.28,-14.54,;27.99,-13.21,;23.02,-15.74,;21.53,-16.15,;20.43,-15.06,;21.14,-17.65,;20.36,-18.98,;18.83,-18.97,;18.07,-17.64,;18.83,-16.31,;20.37,-16.32,;17.16,-18.9,;15.61,-18.74,;14.99,-17.32,;15.89,-16.07,;17.44,-16.24,;18.07,-14.82,;16.92,-13.78,;16.92,-12.23,;15.58,-11.46,;14.24,-12.24,;12.91,-11.46,;14.24,-13.78,;15.58,-14.55,;22.67,-17.66,;23.44,-19,;24.98,-19.01,;25.76,-17.68,;24.99,-16.33,;23.45,-16.33,)|
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>1.00E+5n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


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


ACS Med Chem Lett 5: 857-62 (2014)


Article DOI: 10.1021/ml500117c
BindingDB Entry DOI: 10.7270/Q25140ZK
More data for this
Ligand-Target Pair