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Compile Data Set for Download or QSAR

Found 66 hits with Last Name = 'normandin' and Initial = 'de'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Type-1 angiotensin II receptor B


(RAT)
BDBM50282324
PNG
(2-Cyclopropyl-3-[2'-(2H-tetrazol-5-yl)-biphenyl-4-...)
Show SMILES OC(=O)c1c(Oc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(nc2cccnc12)C1CC1
Show InChI InChI=1S/C25H18N6O3/c32-25(33)20-22-19(6-3-13-26-22)27-21(15-7-8-15)23(20)34-16-11-9-14(10-12-16)17-4-1-2-5-18(17)24-28-30-31-29-24/h1-6,9-13,15H,7-8H2,(H,32,33)(H,28,29,30,31)
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2.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]Sar1,Ile8 angiotensin II binding to Angiotensin II receptor type 1 in rat adrenocortical membrane


Bioorg Med Chem Lett 4: 195-200 (1994)


Article DOI: 10.1016/S0960-894X(01)81146-X
BindingDB Entry DOI: 10.7270/Q2Z60P13
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50049201
PNG
(2-Cyclopropyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-...)
Show SMILES OC(=O)c1c(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(nc2ccccc12)C1CC1
Show InChI InChI=1S/C27H21N5O3/c33-27(34)23-21-7-3-4-8-22(21)28-24(18-13-14-18)25(23)35-15-16-9-11-17(12-10-16)19-5-1-2-6-20(19)26-29-31-32-30-26/h1-12,18H,13-15H2,(H,33,34)(H,29,30,31,32)
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2.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]Sar1,Ile8 angiotensin II binding to Angiotensin II receptor type 1 in rat adrenocortical membrane


Bioorg Med Chem Lett 4: 195-200 (1994)


Article DOI: 10.1016/S0960-894X(01)81146-X
BindingDB Entry DOI: 10.7270/Q2Z60P13
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50282318
PNG
(2-Methyl-3-[2'-(2H-tetrazol-5-yl)-biphenyl-4-yloxy...)
Show SMILES Cc1nc2ccccc2c(C(O)=O)c1Oc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H17N5O3/c1-14-22(21(24(30)31)19-8-4-5-9-20(19)25-14)32-16-12-10-15(11-13-16)17-6-2-3-7-18(17)23-26-28-29-27-23/h2-13H,1H3,(H,30,31)(H,26,27,28,29)
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3.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]Sar1,Ile8 angiotensin II binding to Angiotensin II receptor type 1 in rat adrenocortical membrane


Bioorg Med Chem Lett 4: 195-200 (1994)


Article DOI: 10.1016/S0960-894X(01)81146-X
BindingDB Entry DOI: 10.7270/Q2Z60P13
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50282322
PNG
(2-Propyl-3-[2'-(2H-tetrazol-5-yl)-biphenyl-4-yloxy...)
Show SMILES CCCc1nc2ccccc2c(C(O)=O)c1Oc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C26H21N5O3/c1-2-7-22-24(23(26(32)33)20-10-5-6-11-21(20)27-22)34-17-14-12-16(13-15-17)18-8-3-4-9-19(18)25-28-30-31-29-25/h3-6,8-15H,2,7H2,1H3,(H,32,33)(H,28,29,30,31)
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3.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]Sar1,Ile8 angiotensin II binding to Angiotensin II receptor type 1 in rat adrenocortical membrane


Bioorg Med Chem Lett 4: 195-200 (1994)


Article DOI: 10.1016/S0960-894X(01)81146-X
BindingDB Entry DOI: 10.7270/Q2Z60P13
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50282316
PNG
(2-Cyclopropyl-3-[2'-(2H-tetrazol-5-yl)-biphenyl-4-...)
Show SMILES OC(=O)c1c(Oc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(nc2ncccc12)C1CC1
Show InChI InChI=1S/C25H18N6O3/c32-25(33)20-19-6-3-13-26-23(19)27-21(15-7-8-15)22(20)34-16-11-9-14(10-12-16)17-4-1-2-5-18(17)24-28-30-31-29-24/h1-6,9-13,15H,7-8H2,(H,32,33)(H,28,29,30,31)
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4.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]Sar1,Ile8 angiotensin II binding to Angiotensin II receptor type 1 in rat adrenocortical membrane


Bioorg Med Chem Lett 4: 195-200 (1994)


Article DOI: 10.1016/S0960-894X(01)81146-X
BindingDB Entry DOI: 10.7270/Q2Z60P13
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50282315
PNG
(2-Ethyl-3-[2'-(2H-tetrazol-5-yl)-biphenyl-4-yloxy]...)
Show SMILES CCc1nc2ccccc2c(C(O)=O)c1Oc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C25H19N5O3/c1-2-20-23(22(25(31)32)19-9-5-6-10-21(19)26-20)33-16-13-11-15(12-14-16)17-7-3-4-8-18(17)24-27-29-30-28-24/h3-14H,2H2,1H3,(H,31,32)(H,27,28,29,30)
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5.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]Sar1,Ile8 angiotensin II binding to Angiotensin II receptor type 1 in rat adrenocortical membrane


Bioorg Med Chem Lett 4: 195-200 (1994)


Article DOI: 10.1016/S0960-894X(01)81146-X
BindingDB Entry DOI: 10.7270/Q2Z60P13
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50282317
PNG
(2-Cyclopropyl-5-methyl-3-[2'-(2H-tetrazol-5-yl)-bi...)
Show SMILES Cc1cccc2nc(C3CC3)c(Oc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c(C(O)=O)c12
Show InChI InChI=1S/C27H21N5O3/c1-15-5-4-8-21-22(15)23(27(33)34)25(24(28-21)17-9-10-17)35-18-13-11-16(12-14-18)19-6-2-3-7-20(19)26-29-31-32-30-26/h2-8,11-14,17H,9-10H2,1H3,(H,33,34)(H,29,30,31,32)
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]Sar1,Ile8 angiotensin II binding to Angiotensin II receptor type 1 in rat adrenocortical membrane


Bioorg Med Chem Lett 4: 195-200 (1994)


Article DOI: 10.1016/S0960-894X(01)81146-X
BindingDB Entry DOI: 10.7270/Q2Z60P13
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50282319
PNG
(2-Cyclopropyl-6-fluoro-3-[2'-(2H-tetrazol-5-yl)-bi...)
Show SMILES OC(=O)c1c(Oc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(nc2ccc(F)cc12)C1CC1
Show InChI InChI=1S/C26H18FN5O3/c27-16-9-12-21-20(13-16)22(26(33)34)24(23(28-21)15-5-6-15)35-17-10-7-14(8-11-17)18-3-1-2-4-19(18)25-29-31-32-30-25/h1-4,7-13,15H,5-6H2,(H,33,34)(H,29,30,31,32)
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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]Sar1,Ile8 angiotensin II binding to Angiotensin II receptor type 1 in rat adrenocortical membrane


Bioorg Med Chem Lett 4: 195-200 (1994)


Article DOI: 10.1016/S0960-894X(01)81146-X
BindingDB Entry DOI: 10.7270/Q2Z60P13
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50062397
PNG
(3N-cyanoimino(tert-pentylamino)methyl-3-pyridinami...)
Show SMILES CCC(C)(C)NC(NC#N)=Nc1cccnc1 |w:10.10|
Show InChI InChI=1S/C12H17N5/c1-4-12(2,3)17-11(15-9-13)16-10-6-5-7-14-8-10/h5-8H,4H2,1-3H3,(H2,15,16,17)
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27n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


J Med Chem 41: 271-5 (1998)


Article DOI: 10.1021/jm970762d
BindingDB Entry DOI: 10.7270/Q2FN159P
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50282321
PNG
(7-Chloro-2-cyclopropyl-3-[2'-(2H-tetrazol-5-yl)-bi...)
Show SMILES OC(=O)c1c(Oc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(nc2cc(Cl)ccc12)C1CC1
Show InChI InChI=1S/C26H18ClN5O3/c27-16-9-12-20-21(13-16)28-23(15-5-6-15)24(22(20)26(33)34)35-17-10-7-14(8-11-17)18-3-1-2-4-19(18)25-29-31-32-30-25/h1-4,7-13,15H,5-6H2,(H,33,34)(H,29,30,31,32)
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32n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]Sar1,Ile8 angiotensin II binding to Angiotensin II receptor type 1 in rat adrenocortical membrane


Bioorg Med Chem Lett 4: 195-200 (1994)


Article DOI: 10.1016/S0960-894X(01)81146-X
BindingDB Entry DOI: 10.7270/Q2Z60P13
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50282313
PNG
(2-Cyclopropyl-6-methoxy-3-[2'-(2H-tetrazol-5-yl)-b...)
Show SMILES COc1ccc2nc(C3CC3)c(Oc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c(C(O)=O)c2c1
Show InChI InChI=1S/C27H21N5O4/c1-35-18-12-13-22-21(14-18)23(27(33)34)25(24(28-22)16-6-7-16)36-17-10-8-15(9-11-17)19-4-2-3-5-20(19)26-29-31-32-30-26/h2-5,8-14,16H,6-7H2,1H3,(H,33,34)(H,29,30,31,32)
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33n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]Sar1,Ile8 angiotensin II binding to Angiotensin II receptor type 1 in rat adrenocortical membrane


Bioorg Med Chem Lett 4: 195-200 (1994)


Article DOI: 10.1016/S0960-894X(01)81146-X
BindingDB Entry DOI: 10.7270/Q2Z60P13
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50062402
PNG
(1N-cyanoimino(tert-pentylamino)methyl-3-azido-4-io...)
Show SMILES CCC(C)(C)NC(Nc1ccc(I)c(c1)N=[N+]=[N-])=NC#N |w:18.19|
Show InChI InChI=1S/C13H16IN7/c1-4-13(2,3)19-12(17-8-15)18-9-5-6-10(14)11(7-9)20-21-16/h5-7H,4H2,1-3H3,(H2,17,18,19)
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57n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


J Med Chem 41: 271-5 (1998)


Article DOI: 10.1021/jm970762d
BindingDB Entry DOI: 10.7270/Q2FN159P
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50062394
PNG
(1N-cyanoimino(tert-pentylamino)methyl-4-iodoanilin...)
Show SMILES CCC(C)(C)NC(Nc1ccc(I)cc1)=NC#N |w:15.16|
Show InChI InChI=1S/C13H17IN4/c1-4-13(2,3)18-12(16-9-15)17-11-7-5-10(14)6-8-11/h5-8H,4H2,1-3H3,(H2,16,17,18)
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74n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


J Med Chem 41: 271-5 (1998)


Article DOI: 10.1021/jm970762d
BindingDB Entry DOI: 10.7270/Q2FN159P
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50062396
PNG
(4-cyanoimino(1,2,2-trimethylpropylamino)methylamin...)
Show SMILES CC(NC(Nc1ccc(cc1)C#N)=NC#N)C(C)(C)C |w:13.14|
Show InChI InChI=1S/C15H19N5/c1-11(15(2,3)4)19-14(18-10-17)20-13-7-5-12(9-16)6-8-13/h5-8,11H,1-4H3,(H2,18,19,20)
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99n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


J Med Chem 41: 271-5 (1998)


Article DOI: 10.1021/jm970762d
BindingDB Entry DOI: 10.7270/Q2FN159P
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50282323
PNG
(2-Cyclopropyl-3-[2'-(2H-tetrazol-5-yl)-biphenyl-4-...)
Show SMILES OC(=O)c1cccc2nc(C3CC3)c(Oc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c(C(O)=O)c12
Show InChI InChI=1S/C27H19N5O5/c33-26(34)19-6-3-7-20-21(19)22(27(35)36)24(23(28-20)15-8-9-15)37-16-12-10-14(11-13-16)17-4-1-2-5-18(17)25-29-31-32-30-25/h1-7,10-13,15H,8-9H2,(H,33,34)(H,35,36)(H,29,30,31,32)
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120n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]Sar1,Ile8 angiotensin II binding to Angiotensin II receptor type 1 in rat adrenocortical membrane


Bioorg Med Chem Lett 4: 195-200 (1994)


Article DOI: 10.1016/S0960-894X(01)81146-X
BindingDB Entry DOI: 10.7270/Q2Z60P13
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50012957
PNG
(1-((p-(2-(5-chloro-o-anisamido)ethyl)phenyl)sulfon...)
Show SMILES COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1
Show InChI InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)
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130n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


J Med Chem 41: 271-5 (1998)


Article DOI: 10.1021/jm970762d
BindingDB Entry DOI: 10.7270/Q2FN159P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50062398
PNG
(4-cyanoimino(tert-pentylamino)methylaminobenzonitr...)
Show SMILES CCC(C)(C)NC(Nc1ccc(cc1)C#N)=NC#N |w:16.17|
Show InChI InChI=1S/C14H17N5/c1-4-14(2,3)19-13(17-10-16)18-12-7-5-11(9-15)6-8-12/h5-8H,4H2,1-3H3,(H2,17,18,19)
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160n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


J Med Chem 41: 271-5 (1998)


Article DOI: 10.1021/jm970762d
BindingDB Entry DOI: 10.7270/Q2FN159P
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50240750
PNG
(()-N-Cyano-N'-4-pyridinyl-N''-(1,2,2-trimethylprop...)
Show SMILES CC(NC(NC#N)=Nc1ccncc1)C(C)(C)C |w:7.7|
Show InChI InChI=1S/C13H19N5/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11/h5-8,10H,1-4H3,(H2,15,16,17,18)
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320n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


J Med Chem 41: 271-5 (1998)


Article DOI: 10.1021/jm970762d
BindingDB Entry DOI: 10.7270/Q2FN159P
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50062393
PNG
(3-cyanoimino(1,2,2-trimethylpropylamino)methylamin...)
Show SMILES CC(NC(Nc1cccc(c1)C#N)=NC#N)C(C)(C)C |w:13.14|
Show InChI InChI=1S/C15H19N5/c1-11(15(2,3)4)19-14(18-10-17)20-13-7-5-6-12(8-13)9-16/h5-8,11H,1-4H3,(H2,18,19,20)
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350n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


J Med Chem 41: 271-5 (1998)


Article DOI: 10.1021/jm970762d
BindingDB Entry DOI: 10.7270/Q2FN159P
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50062399
PNG
(4-[tert-butylamino(cyanoimino)methylamino]benzonit...)
Show SMILES CC(C)(C)NC(Nc1ccc(cc1)C#N)=NC#N |w:15.16|
Show InChI InChI=1S/C13H15N5/c1-13(2,3)18-12(16-9-15)17-11-6-4-10(8-14)5-7-11/h4-7H,1-3H3,(H2,16,17,18)
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480n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


J Med Chem 41: 271-5 (1998)


Article DOI: 10.1021/jm970762d
BindingDB Entry DOI: 10.7270/Q2FN159P
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50062400
PNG
(1N-cyanoimino(1,2,2-trimethylpropylamino)methylani...)
Show SMILES CC(NC(Nc1ccccc1)=NC#N)C(C)(C)C |w:11.12|
Show InChI InChI=1S/C14H20N4/c1-11(14(2,3)4)17-13(16-10-15)18-12-8-6-5-7-9-12/h5-9,11H,1-4H3,(H2,16,17,18)
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680n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


J Med Chem 41: 271-5 (1998)


Article DOI: 10.1021/jm970762d
BindingDB Entry DOI: 10.7270/Q2FN159P
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50282320
PNG
(2-Cyclopropyl-8-methyl-3-[2'-(2H-tetrazol-5-yl)-bi...)
Show SMILES Cc1cccc2c(C(O)=O)c(Oc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c(nc12)C1CC1
Show InChI InChI=1S/C27H21N5O3/c1-15-5-4-8-21-22(27(33)34)25(24(17-9-10-17)28-23(15)21)35-18-13-11-16(12-14-18)19-6-2-3-7-20(19)26-29-31-32-30-26/h2-8,11-14,17H,9-10H2,1H3,(H,33,34)(H,29,30,31,32)
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1.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]Sar1,Ile8 angiotensin II binding to Angiotensin II receptor type 1 in rat adrenocortical membrane


Bioorg Med Chem Lett 4: 195-200 (1994)


Article DOI: 10.1016/S0960-894X(01)81146-X
BindingDB Entry DOI: 10.7270/Q2Z60P13
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50062392
PNG
(4-isopropylamino(cyanoimino)methylaminobenzonitril...)
Show SMILES CC(C)NC(Nc1ccc(cc1)C#N)=NC#N |w:14.15|
Show InChI InChI=1S/C12H13N5/c1-9(2)16-12(15-8-14)17-11-5-3-10(7-13)4-6-11/h3-6,9H,1-2H3,(H2,15,16,17)
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7.30E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


J Med Chem 41: 271-5 (1998)


Article DOI: 10.1021/jm970762d
BindingDB Entry DOI: 10.7270/Q2FN159P
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50062391
PNG
(1N-cyanoimino(tert-pentylamino)methyl-4-hexahydro-...)
Show SMILES CCC(C)(C)NC(Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)=NC#N |w:23.25|
Show InChI InChI=1S/C18H27N5O2S/c1-4-18(2,3)22-17(20-14-19)21-15-8-10-16(11-9-15)26(24,25)23-12-6-5-7-13-23/h8-11H,4-7,12-13H2,1-3H3,(H2,20,21,22)
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


J Med Chem 41: 271-5 (1998)


Article DOI: 10.1021/jm970762d
BindingDB Entry DOI: 10.7270/Q2FN159P
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50062395
PNG
(1N-cyanoimino(tert-pentylamino)methyl-3-hexahydro-...)
Show SMILES CCC(C)(C)NC(Nc1cccc(c1)S(=O)(=O)N1CCCCC1)=NC#N |w:23.25|
Show InChI InChI=1S/C18H27N5O2S/c1-4-18(2,3)22-17(20-14-19)21-15-9-8-10-16(13-15)26(24,25)23-11-6-5-7-12-23/h8-10,13H,4-7,11-12H2,1-3H3,(H2,20,21,22)
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


J Med Chem 41: 271-5 (1998)


Article DOI: 10.1021/jm970762d
BindingDB Entry DOI: 10.7270/Q2FN159P
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50062401
PNG
(4-methylamino(cyanoimino)methylaminobenzonitrile |...)
Show SMILES CNC(Nc1ccc(cc1)C#N)=NC#N |w:12.13|
Show InChI InChI=1S/C10H9N5/c1-13-10(14-7-12)15-9-4-2-8(6-11)3-5-9/h2-5H,1H3,(H2,13,14,15)
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


J Med Chem 41: 271-5 (1998)


Article DOI: 10.1021/jm970762d
BindingDB Entry DOI: 10.7270/Q2FN159P
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50044253
PNG
((3R,4R)-3-Hydroxy-2,2-dimethyl-4-(2-oxo-pyrrolidin...)
Show SMILES CC1(C)Oc2ccc(cc2[C@@H]([C@H]1O)N1CCCC1=O)C#N |r|
Show InChI InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3/t14-,15+/m0/s1
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7.20E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


J Med Chem 41: 271-5 (1998)


Article DOI: 10.1021/jm970762d
BindingDB Entry DOI: 10.7270/Q2FN159P
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50044253
PNG
((3R,4R)-3-Hydroxy-2,2-dimethyl-4-(2-oxo-pyrrolidin...)
Show SMILES CC1(C)Oc2ccc(cc2[C@@H]([C@H]1O)N1CCCC1=O)C#N |r|
Show InChI InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3/t14-,15+/m0/s1
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7.20E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


J Med Chem 41: 271-5 (1998)


Article DOI: 10.1021/jm970762d
BindingDB Entry DOI: 10.7270/Q2FN159P
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 1


(Cavia porcellus)
BDBM50106179
PNG
(CHEMBL125327 | Enantiomer-4-(3-Butyl-[1,2,4]oxadia...)
Show SMILES CCCCc1noc(n1)-c1ccc(cc1)C(=O)NC[C@H]1CCCC1(C)C
Show InChI InChI=1S/C21H29N3O2/c1-4-5-8-18-23-20(26-24-18)16-11-9-15(10-12-16)19(25)22-14-17-7-6-13-21(17,2)3/h9-12,17H,4-8,13-14H2,1-3H3,(H,22,25)/t17-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Molar concentration required to inhibit 50% of the activating delayed-rectifier K+ current in isolated guinea pig ventricularmyocytes


J Med Chem 44: 3764-7 (2001)


BindingDB Entry DOI: 10.7270/Q2G1604C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 1


(Cavia porcellus)
BDBM50106169
PNG
(CHEMBL338973 | Enantiomer-4-(3-Butyl-[1,2,4]oxadia...)
Show SMILES CCCCc1noc(n1)-c1ccc(cc1)C(=O)NC[C@@H]1CCCC1(C)C
Show InChI InChI=1S/C21H29N3O2/c1-4-5-8-18-23-20(26-24-18)16-11-9-15(10-12-16)19(25)22-14-17-7-6-13-21(17,2)3/h9-12,17H,4-8,13-14H2,1-3H3,(H,22,25)/t17-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Molar concentration required to inhibit 50% of the activating delayed-rectifier K+ current in isolated guinea pig ventricularmyocytes


J Med Chem 44: 3764-7 (2001)


BindingDB Entry DOI: 10.7270/Q2G1604C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 1


(Cavia porcellus)
BDBM50106167
PNG
(CHEMBL125000 | Enantiomer-4-(3-Cyclopropylmethyl-[...)
Show SMILES CC1(C)CCCC1CNC(=O)c1ccc(cc1)-c1nc(CC2CC2)no1
Show InChI InChI=1S/C21H27N3O2/c1-21(2)11-3-4-17(21)13-22-19(25)15-7-9-16(10-8-15)20-23-18(24-26-20)12-14-5-6-14/h7-10,14,17H,3-6,11-13H2,1-2H3,(H,22,25)
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Molar concentration required to inhibit 50% of the activating delayed-rectifier K+ current in isolated guinea pig ventricularmyocytes


J Med Chem 44: 3764-7 (2001)


BindingDB Entry DOI: 10.7270/Q2G1604C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 1


(Cavia porcellus)
BDBM50106167
PNG
(CHEMBL125000 | Enantiomer-4-(3-Cyclopropylmethyl-[...)
Show SMILES CC1(C)CCCC1CNC(=O)c1ccc(cc1)-c1nc(CC2CC2)no1
Show InChI InChI=1S/C21H27N3O2/c1-21(2)11-3-4-17(21)13-22-19(25)15-7-9-16(10-8-15)20-23-18(24-26-20)12-14-5-6-14/h7-10,14,17H,3-6,11-13H2,1-2H3,(H,22,25)
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Bindind affinity value obtained by measuring the displacement of radioligand [3H]-(-)-cytisine from whole rat brain Nicotinic acetylcholine receptor


J Med Chem 44: 3764-7 (2001)


BindingDB Entry DOI: 10.7270/Q2G1604C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 1


(Cavia porcellus)
BDBM50106178
PNG
(4-(3-Butyl-[1,2,4]oxadiazol-5-yl)-N-(3,3-dimethyl-...)
Show SMILES CCCCc1noc(n1)-c1ccc(cc1)C(=O)NCCC(C)(C)C
Show InChI InChI=1S/C19H27N3O2/c1-5-6-7-16-21-18(24-22-16)15-10-8-14(9-11-15)17(23)20-13-12-19(2,3)4/h8-11H,5-7,12-13H2,1-4H3,(H,20,23)
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n/an/a 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Molar concentration required to inhibit 50% of the activating delayed-rectifier K+ current in isolated guinea pig ventricularmyocytes


J Med Chem 44: 3764-7 (2001)


BindingDB Entry DOI: 10.7270/Q2G1604C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 1


(Cavia porcellus)
BDBM50106168
PNG
(CHEMBL124448 | Enantiomer-N-(2,2-Dimethyl-cyclopen...)
Show SMILES CCCc1noc(n1)-c1ccc(cc1)C(=O)NCC1CCCC1(C)C
Show InChI InChI=1S/C20H27N3O2/c1-4-6-17-22-19(25-23-17)15-10-8-14(9-11-15)18(24)21-13-16-7-5-12-20(16,2)3/h8-11,16H,4-7,12-13H2,1-3H3,(H,21,24)
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n/an/a 27n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Molar concentration required to inhibit 50% of the activating delayed-rectifier K+ current in isolated guinea pig ventricularmyocytes


J Med Chem 44: 3764-7 (2001)


BindingDB Entry DOI: 10.7270/Q2G1604C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 1


(Cavia porcellus)
BDBM50106168
PNG
(CHEMBL124448 | Enantiomer-N-(2,2-Dimethyl-cyclopen...)
Show SMILES CCCc1noc(n1)-c1ccc(cc1)C(=O)NCC1CCCC1(C)C
Show InChI InChI=1S/C20H27N3O2/c1-4-6-17-22-19(25-23-17)15-10-8-14(9-11-15)18(24)21-13-16-7-5-12-20(16,2)3/h8-11,16H,4-7,12-13H2,1-3H3,(H,21,24)
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n/an/a 27n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Bindind affinity value obtained by measuring the displacement of radioligand [3H]-(-)-cytisine from whole rat brain Nicotinic acetylcholine receptor


J Med Chem 44: 3764-7 (2001)


BindingDB Entry DOI: 10.7270/Q2G1604C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 1


(Cavia porcellus)
BDBM50061218
PNG
((E)-3-(2,4-Dichloro-phenyl)-N-((R)-1-methyl-2-oxo-...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)\C=C\c2ccc(Cl)cc2Cl)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C25H19Cl2N3O2/c1-30-21-10-6-5-9-19(21)23(17-7-3-2-4-8-17)29-24(25(30)32)28-22(31)14-12-16-11-13-18(26)15-20(16)27/h2-15,24H,1H3,(H,28,31)/b14-12+/t24-/m1/s1
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n/an/a 31n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Molar concentration required to inhibit 50% of the activating delayed-rectifier K+ current in isolated guinea pig ventricularmyocytes


J Med Chem 44: 3764-7 (2001)


BindingDB Entry DOI: 10.7270/Q2G1604C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 1


(Cavia porcellus)
BDBM50106176
PNG
(CHEMBL340681 | Enantiomer-N-(2,2-Dimethyl-cyclopen...)
Show SMILES CC1(C)CCCC1CNC(=O)c1ccc(cc1)-c1noc(CCC(F)(F)F)n1
Show InChI InChI=1S/C20H24F3N3O2/c1-19(2)10-3-4-15(19)12-24-18(27)14-7-5-13(6-8-14)17-25-16(28-26-17)9-11-20(21,22)23/h5-8,15H,3-4,9-12H2,1-2H3,(H,24,27)
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Molar concentration required to inhibit 50% of the activating delayed-rectifier K+ current in isolated guinea pig ventricularmyocytes


J Med Chem 44: 3764-7 (2001)


BindingDB Entry DOI: 10.7270/Q2G1604C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 1


(Cavia porcellus)
BDBM50106176
PNG
(CHEMBL340681 | Enantiomer-N-(2,2-Dimethyl-cyclopen...)
Show SMILES CC1(C)CCCC1CNC(=O)c1ccc(cc1)-c1noc(CCC(F)(F)F)n1
Show InChI InChI=1S/C20H24F3N3O2/c1-19(2)10-3-4-15(19)12-24-18(27)14-7-5-13(6-8-14)17-25-16(28-26-17)9-11-20(21,22)23/h5-8,15H,3-4,9-12H2,1-2H3,(H,24,27)
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Bindind affinity values obtained by measuring the displacement of radioligand [3H]-(-)-cytisine from a preparation of whole rat brain


J Med Chem 44: 3764-7 (2001)


BindingDB Entry DOI: 10.7270/Q2G1604C
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50373617
PNG
(CHEMBL403689)
Show SMILES CN(CC(=O)Nc1cccc(c1)S(=O)(=O)N(Cc1ccccc1)c1cccc(Cl)c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C30H28ClN3O5S/c1-33(30(36)39-22-24-12-6-3-7-13-24)21-29(35)32-26-15-9-17-28(19-26)40(37,38)34(20-23-10-4-2-5-11-23)27-16-8-14-25(31)18-27/h2-19H,20-22H2,1H3,(H,32,35)
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n/an/a 110n/an/an/an/an/an/a



Bristol-Myers Squibb R& D

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1H T-type calcium channel expressed in HEK293 cells by patch clamp technique


Bioorg Med Chem Lett 18: 474-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.103
BindingDB Entry DOI: 10.7270/Q2C53MQR
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 1


(Cavia porcellus)
BDBM50106182
PNG
(CHEMBL123085 | N-(3,3-Dimethyl-butyl)-4-(3-phenyl-...)
Show SMILES CC(C)(C)CCNC(=O)c1ccc(cc1)-c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C21H23N3O2/c1-21(2,3)13-14-22-19(25)16-9-11-17(12-10-16)20-23-18(24-26-20)15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,22,25)
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n/an/a 130n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Molar concentration required to inhibit 50% of the activating delayed-rectifier K+ current in isolated guinea pig ventricularmyocytes


J Med Chem 44: 3764-7 (2001)


BindingDB Entry DOI: 10.7270/Q2G1604C
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50117922
PNG
((1S,2S)-2-(2-((3-(1H-benzo[d]imidazol-2-yl)propyl)...)
Show SMILES COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C |r|
Show InChI InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Bristol-Myers Squibb R& D

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1H T-type calcium channel expressed in HEK293 cells by patch clamp technique


Bioorg Med Chem Lett 18: 474-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.103
BindingDB Entry DOI: 10.7270/Q2C53MQR
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50373614
PNG
(CHEMBL257288)
Show SMILES CC(C)OC(=O)C1C(N(CCCN(C)C(=O)c2ccc(Oc3ccccc3)cc2)C(=O)N=C1C)c1cccc(Cl)c1 |c:33|
Show InChI InChI=1S/C32H34ClN3O5/c1-21(2)40-31(38)28-22(3)34-32(39)36(29(28)24-10-8-11-25(33)20-24)19-9-18-35(4)30(37)23-14-16-27(17-15-23)41-26-12-6-5-7-13-26/h5-8,10-17,20-21,28-29H,9,18-19H2,1-4H3
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n/an/a 180n/an/an/an/an/an/a



Bristol-Myers Squibb R& D

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1H T-type calcium channel expressed in HEK293 cells by patch clamp technique


Bioorg Med Chem Lett 18: 474-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.103
BindingDB Entry DOI: 10.7270/Q2C53MQR
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50373620
PNG
(CHEMBL269980)
Show SMILES CC(C)CCCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(NC(=O)CN(C)C(=O)OCc2ccccc2)c1
Show InChI InChI=1S/C29H34ClN3O5S/c1-22(2)10-9-17-33(26-15-7-13-24(30)18-26)39(36,37)27-16-8-14-25(19-27)31-28(34)20-32(3)29(35)38-21-23-11-5-4-6-12-23/h4-8,11-16,18-19,22H,9-10,17,20-21H2,1-3H3,(H,31,34)
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n/an/a 180n/an/an/an/an/an/a



Bristol-Myers Squibb R& D

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1H T-type calcium channel expressed in HEK293 cells by patch clamp technique


Bioorg Med Chem Lett 18: 474-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.103
BindingDB Entry DOI: 10.7270/Q2C53MQR
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50373616
PNG
(CHEMBL272128)
Show SMILES CC(C)OC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(NC(=O)CN(C)C(=O)OCc2ccccc2)c1
Show InChI InChI=1S/C28H30ClN3O7S/c1-20(2)39-27(34)18-32(24-13-7-11-22(29)15-24)40(36,37)25-14-8-12-23(16-25)30-26(33)17-31(3)28(35)38-19-21-9-5-4-6-10-21/h4-16,20H,17-19H2,1-3H3,(H,30,33)
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n/an/a 240n/an/an/an/an/an/a



Bristol-Myers Squibb R& D

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1H T-type calcium channel expressed in HEK293 cells by patch clamp technique


Bioorg Med Chem Lett 18: 474-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.103
BindingDB Entry DOI: 10.7270/Q2C53MQR
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50373614
PNG
(CHEMBL257288)
Show SMILES CC(C)OC(=O)C1C(N(CCCN(C)C(=O)c2ccc(Oc3ccccc3)cc2)C(=O)N=C1C)c1cccc(Cl)c1 |c:33|
Show InChI InChI=1S/C32H34ClN3O5/c1-21(2)40-31(38)28-22(3)34-32(39)36(29(28)24-10-8-11-25(33)20-24)19-9-18-35(4)30(37)23-14-16-27(17-15-23)41-26-12-6-5-7-13-26/h5-8,10-17,20-21,28-29H,9,18-19H2,1-4H3
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n/an/a 250n/an/an/an/an/an/a



Bristol-Myers Squibb R& D

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1H T-type calcium channel expressed in HEK293 cells by patch clamp technique


Bioorg Med Chem Lett 18: 474-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.103
BindingDB Entry DOI: 10.7270/Q2C53MQR
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 1


(Cavia porcellus)
BDBM50106166
PNG
(CHEMBL122341 | N-(3,3-Dimethyl-butyl)-4-hexyloxy-b...)
Show SMILES CCCCCCOc1ccc(cc1)C(=O)NCCC(C)(C)C
Show InChI InChI=1S/C19H31NO2/c1-5-6-7-8-15-22-17-11-9-16(10-12-17)18(21)20-14-13-19(2,3)4/h9-12H,5-8,13-15H2,1-4H3,(H,20,21)
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n/an/a 250n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Molar concentration required to inhibit 50% of the activating delayed-rectifier K+ current in isolated guinea pig ventricularmyocytes


J Med Chem 44: 3764-7 (2001)


BindingDB Entry DOI: 10.7270/Q2G1604C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 1


(Cavia porcellus)
BDBM50106177
PNG
(CHEMBL431682 | N-(3,3-Dimethyl-butyl)-4-indol-1-yl...)
Show SMILES CC(C)(C)CCNC(=O)c1ccc(cc1)-n1ccc2ccccc12
Show InChI InChI=1S/C21H24N2O/c1-21(2,3)13-14-22-20(24)17-8-10-18(11-9-17)23-15-12-16-6-4-5-7-19(16)23/h4-12,15H,13-14H2,1-3H3,(H,22,24)
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n/an/a 260n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Molar concentration required to inhibit 50% of the activating delayed-rectifier K+ current in isolated guinea pig ventricularmyocytes


J Med Chem 44: 3764-7 (2001)


BindingDB Entry DOI: 10.7270/Q2G1604C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 1


(Cavia porcellus)
BDBM50106184
PNG
(CHEMBL121751 | N-(3,3-Dimethyl-cyclopentyl)-4-hexy...)
Show SMILES CCCCCCOc1ccc(cc1)C(=O)NC1CCC(C)(C)C1
Show InChI InChI=1S/C20H31NO2/c1-4-5-6-7-14-23-18-10-8-16(9-11-18)19(22)21-17-12-13-20(2,3)15-17/h8-11,17H,4-7,12-15H2,1-3H3,(H,21,22)
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n/an/a 360n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Molar concentration required to inhibit 50% of the activating delayed-rectifier K+ current in isolated guinea pig ventricularmyocytes


J Med Chem 44: 3764-7 (2001)


BindingDB Entry DOI: 10.7270/Q2G1604C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 1


(Cavia porcellus)
BDBM50106180
PNG
(CHEMBL124595 | N-(3,3-Dimethyl-cyclohexylmethyl)-4...)
Show SMILES CCCCCCOc1ccc(cc1)C(=O)NCC1CCCC(C)(C)C1
Show InChI InChI=1S/C22H35NO2/c1-4-5-6-7-15-25-20-12-10-19(11-13-20)21(24)23-17-18-9-8-14-22(2,3)16-18/h10-13,18H,4-9,14-17H2,1-3H3,(H,23,24)
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n/an/a 370n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Molar concentration required to inhibit 50% of the activating delayed-rectifier K+ current in isolated guinea pig ventricularmyocytes


J Med Chem 44: 3764-7 (2001)


BindingDB Entry DOI: 10.7270/Q2G1604C
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50373619
PNG
(CHEMBL272127)
Show SMILES CC(C)OC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(NC(=O)CCNC(=O)OCc2ccccc2)c1
Show InChI InChI=1S/C28H30ClN3O7S/c1-20(2)39-27(34)18-32(24-12-6-10-22(29)16-24)40(36,37)25-13-7-11-23(17-25)31-26(33)14-15-30-28(35)38-19-21-8-4-3-5-9-21/h3-13,16-17,20H,14-15,18-19H2,1-2H3,(H,30,35)(H,31,33)
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n/an/a 420n/an/an/an/an/an/a



Bristol-Myers Squibb R& D

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1H T-type calcium channel expressed in HEK293 cells by patch clamp technique


Bioorg Med Chem Lett 18: 474-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.103
BindingDB Entry DOI: 10.7270/Q2C53MQR
More data for this
Ligand-Target Pair
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