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Compile Data Set for Download or QSAR

Found 22 hits of ki data for polymerid = 50000704,50001262   
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
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.


J Med Chem 41: 5393-401 (1999)

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.


J Med Chem 41: 5393-401 (1999)

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.


J Med Chem 41: 5393-401 (1999)

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.


J Med Chem 41: 5393-401 (1999)

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.


J Med Chem 41: 5393-401 (1999)

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.


J Med Chem 41: 5393-401 (1999)

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.


J Med Chem 41: 5393-401 (1999)

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.


J Med Chem 41: 5393-401 (1999)

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.


J Med Chem 41: 5393-401 (1999)

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


(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
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)

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


(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
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)

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


(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
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)

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


(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
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)

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


(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
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)

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


(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
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)

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


(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
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)

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


(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
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)

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


(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
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)

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


(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
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)

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


(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
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)

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


(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
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)

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


(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
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)

More data for this
Ligand-Target Pair