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Compile Data Set for Download or QSAR

Found 261 hits with Last Name = 'pandey' and Initial = 'p'   
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
With-No-Lysine (K) Kinase 2 (WNK2)


(Homo sapiens (Human))
BDBM203827
PNG
(N-(tert-butyl)-1-(1-(5-(5-(trifluoromethyl)-1,3,4-...)
Show SMILES CC(C)(C)NC(=O)c1cncn1C1CCN(CC1)c1ccc(cc1)-c1nnc(o1)C(F)(F)F
Show InChI InChI=1S/C22H25F3N6O2/c1-21(2,3)27-18(32)17-12-26-13-31(17)16-8-10-30(11-9-16)15-6-4-14(5-7-15)19-28-29-20(33-19)22(23,24)25/h4-7,12-13,16H,8-11H2,1-3H3,(H,27,32)
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n/an/a 1n/an/an/an/a7.325



Novartis Institutes



Assay Description
Each well of the MBP-coated ScintiPlates held 100 ul of a solution containing 20 mM HEPES pH 7.3, 5 mM MnCl2 (WNK1 and WNK4) or 3 mM MnCl2 (WNK2 and ...


Nat Chem Biol 12: 896-898 (2016)


Article DOI: 10.1038/nchembio.2168
BindingDB Entry DOI: 10.7270/Q2ZK5FH5
More data for this
Ligand-Target Pair
With-No-Lysine (K) Kinase 1 (WNK1)


(Homo sapiens (Human))
BDBM203827
PNG
(N-(tert-butyl)-1-(1-(5-(5-(trifluoromethyl)-1,3,4-...)
Show SMILES CC(C)(C)NC(=O)c1cncn1C1CCN(CC1)c1ccc(cc1)-c1nnc(o1)C(F)(F)F
Show InChI InChI=1S/C22H25F3N6O2/c1-21(2,3)27-18(32)17-12-26-13-31(17)16-8-10-30(11-9-16)15-6-4-14(5-7-15)19-28-29-20(33-19)22(23,24)25/h4-7,12-13,16H,8-11H2,1-3H3,(H,27,32)
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n/an/a 5n/an/an/an/a7.325



Novartis Institutes



Assay Description
Each well of the MBP-coated ScintiPlates held 100 ul of a solution containing 20 mM HEPES pH 7.3, 5 mM MnCl2 (WNK1 and WNK4) or 3 mM MnCl2 (WNK2 and ...


Nat Chem Biol 12: 896-898 (2016)


Article DOI: 10.1038/nchembio.2168
BindingDB Entry DOI: 10.7270/Q2ZK5FH5
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM12972
PNG
((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
Show InChI InChI=1S/C32H41BrN8O5S/c1-18(2)26(29(45)39-24(5-4-14-37-31(34)35)27(43)30-36-15-16-47-30)41-28(44)25(17-20-6-12-23(42)13-7-20)40-32(46)38-19(3)21-8-10-22(33)11-9-21/h6-13,15-16,18-19,24-26,42H,4-5,14,17H2,1-3H3,(H,39,45)(H,41,44)(H4,34,35,37)(H2,38,40,46)/t19-,24+,25+,26+/m1/s1
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Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)



Assay Description
Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...


J Med Chem 49: 7781-91 (2006)


Article DOI: 10.1021/jm060978s
BindingDB Entry DOI: 10.7270/Q2SJ1HTM
More data for this
Ligand-Target Pair
With-No-Lysine (K) Kinase 3 (WNK3)


(Homo sapiens (Human))
BDBM203827
PNG
(N-(tert-butyl)-1-(1-(5-(5-(trifluoromethyl)-1,3,4-...)
Show SMILES CC(C)(C)NC(=O)c1cncn1C1CCN(CC1)c1ccc(cc1)-c1nnc(o1)C(F)(F)F
Show InChI InChI=1S/C22H25F3N6O2/c1-21(2,3)27-18(32)17-12-26-13-31(17)16-8-10-30(11-9-16)15-6-4-14(5-7-15)19-28-29-20(33-19)22(23,24)25/h4-7,12-13,16H,8-11H2,1-3H3,(H,27,32)
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n/an/a 6n/an/an/an/a7.325



Novartis Institutes



Assay Description
Each well of the MBP-coated ScintiPlates held 100 ul of a solution containing 20 mM HEPES pH 7.3, 5 mM MnCl2 (WNK1 and WNK4) or 3 mM MnCl2 (WNK2 and ...


Nat Chem Biol 12: 896-898 (2016)


Article DOI: 10.1038/nchembio.2168
BindingDB Entry DOI: 10.7270/Q2ZK5FH5
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Oryctolagus cuniculus)
BDBM50317833
PNG
(3-methyl 5-(3-phenylbutyl)2,6-dimethyl-4-(3-nitrop...)
Show SMILES COC(=O)C1C(C(C(=O)OCCC(C)c2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:23,t:20|
Show InChI InChI=1S/C26H28N2O6/c1-16(19-9-6-5-7-10-19)13-14-34-26(30)23-18(3)27-17(2)22(25(29)33-4)24(23)20-11-8-12-21(15-20)28(31)32/h5-12,15-16,22,24H,13-14H2,1-4H3
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n/an/a 6n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM12973
PNG
((2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carbamoyl}am...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
Show InChI InChI=1S/C29H44BrN11O4S/c1-16(2)22(25(44)39-20(6-4-12-36-27(31)32)23(42)26-35-14-15-46-26)41-24(43)21(7-5-13-37-28(33)34)40-29(45)38-17(3)18-8-10-19(30)11-9-18/h8-11,14-17,20-22H,4-7,12-13H2,1-3H3,(H,39,44)(H,41,43)(H4,31,32,36)(H4,33,34,37)(H2,38,40,45)/t17-,20+,21+,22+/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)



Assay Description
Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...


J Med Chem 49: 7781-91 (2006)


Article DOI: 10.1021/jm060978s
BindingDB Entry DOI: 10.7270/Q2SJ1HTM
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Oryctolagus cuniculus)
BDBM50317821
PNG
(3-(3,4-difluorobenzyl)5-methyl 2,6-dimethyl-4-(3-n...)
Show SMILES COC(=O)C1C(C(C(=O)OCc2ccc(F)c(F)c2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:22,t:19|
Show InChI InChI=1S/C23H20F2N2O6/c1-12-19(22(28)32-3)21(15-5-4-6-16(10-15)27(30)31)20(13(2)26-12)23(29)33-11-14-7-8-17(24)18(25)9-14/h4-10,19,21H,11H2,1-3H3
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n/an/a 7n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM12974
PNG
((2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carbamoyl}am...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
Show InChI InChI=1S/C27H38BrN9O5S/c1-14(2)21(24(41)35-18(5-4-10-33-26(30)31)22(39)25-32-11-12-43-25)37-23(40)19(13-20(29)38)36-27(42)34-15(3)16-6-8-17(28)9-7-16/h6-9,11-12,14-15,18-19,21H,4-5,10,13H2,1-3H3,(H2,29,38)(H,35,41)(H,37,40)(H4,30,31,33)(H2,34,36,42)/t15-,18+,19+,21+/m1/s1
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Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)



Assay Description
Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...


J Med Chem 49: 7781-91 (2006)


Article DOI: 10.1021/jm060978s
BindingDB Entry DOI: 10.7270/Q2SJ1HTM
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Oryctolagus cuniculus)
BDBM50317775
PNG
(CHEMBL1099222 | diethyl 2,6-dimethyl-4-(2-(methylt...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCC)=C(C)N=C1C)c1ccccc1SC |c:15,t:12|
Show InChI InChI=1S/C20H25NO4S/c1-6-24-19(22)16-12(3)21-13(4)17(20(23)25-7-2)18(16)14-10-8-9-11-15(14)26-5/h8-11,16,18H,6-7H2,1-5H3
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n/an/a 8n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Oryctolagus cuniculus)
BDBM50317776
PNG
(CHEMBL1086836 | dimethyl 2,6-dimethyl-4-(2-(methyl...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1SC |c:13,t:10|
Show InChI InChI=1S/C18H21NO4S/c1-10-14(17(20)22-3)16(12-8-6-7-9-13(12)24-5)15(11(2)19-10)18(21)23-4/h6-9,14,16H,1-5H3
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Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Oryctolagus cuniculus)
BDBM50317802
PNG
(3-allyl 5-methyl 2,6-dimethyl-4-(2-nitrophenyl)-1,...)
Show SMILES COC(=O)C1C(C(C(=O)OCC=C)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:15,t:12|
Show InChI InChI=1S/C19H20N2O6/c1-5-10-27-19(23)16-12(3)20-11(2)15(18(22)26-4)17(16)13-8-6-7-9-14(13)21(24)25/h5-9,15,17H,1,10H2,2-4H3
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Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Oryctolagus cuniculus)
BDBM50317831
PNG
(3-(4-chlorophenethyl)5-methyl 2,6-dimethyl-4-(3-ni...)
Show SMILES COC(=O)C1C(C(C(=O)OCCc2ccc(Cl)cc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:22,t:19|
Show InChI InChI=1S/C24H23ClN2O6/c1-14-20(23(28)32-3)22(17-5-4-6-19(13-17)27(30)31)21(15(2)26-14)24(29)33-12-11-16-7-9-18(25)10-8-16/h4-10,13,20,22H,11-12H2,1-3H3
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Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
With-No-Lysine (K) Kinase 4 (WNK4)


(Homo sapiens (Human))
BDBM203827
PNG
(N-(tert-butyl)-1-(1-(5-(5-(trifluoromethyl)-1,3,4-...)
Show SMILES CC(C)(C)NC(=O)c1cncn1C1CCN(CC1)c1ccc(cc1)-c1nnc(o1)C(F)(F)F
Show InChI InChI=1S/C22H25F3N6O2/c1-21(2,3)27-18(32)17-12-26-13-31(17)16-8-10-30(11-9-16)15-6-4-14(5-7-15)19-28-29-20(33-19)22(23,24)25/h4-7,12-13,16H,8-11H2,1-3H3,(H,27,32)
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n/an/a 9n/an/an/an/a7.325



Novartis Institutes



Assay Description
Each well of the MBP-coated ScintiPlates held 100 ul of a solution containing 20 mM HEPES pH 7.3, 5 mM MnCl2 (WNK1 and WNK4) or 3 mM MnCl2 (WNK2 and ...


Nat Chem Biol 12: 896-898 (2016)


Article DOI: 10.1038/nchembio.2168
BindingDB Entry DOI: 10.7270/Q2ZK5FH5
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Oryctolagus cuniculus)
BDBM50317835
PNG
(3-(2-(benzyloxy)ethyl)5-methyl 2,6-dimethyl-4-(3-n...)
Show SMILES COC(=O)C1C(C(C(=O)OCCOCc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:23,t:20|
Show InChI InChI=1S/C25H26N2O7/c1-16-21(24(28)32-3)23(19-10-7-11-20(14-19)27(30)31)22(17(2)26-16)25(29)34-13-12-33-15-18-8-5-4-6-9-18/h4-11,14,21,23H,12-13,15H2,1-3H3
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Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Oryctolagus cuniculus)
BDBM50317836
PNG
(3-methyl 5-(3-phenoxypropyl)2,6-dimethyl-4-(3-nitr...)
Show SMILES COC(=O)C1C(C(C(=O)OCCCOc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:23,t:20|
Show InChI InChI=1S/C25H26N2O7/c1-16-21(24(28)32-3)23(18-9-7-10-19(15-18)27(30)31)22(17(2)26-16)25(29)34-14-8-13-33-20-11-5-4-6-12-20/h4-7,9-12,15,21,23H,8,13-14H2,1-3H3
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Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM12962
PNG
((2S)-2-({[1-(4-bromophenyl)ethyl]carbamoyl}amino)-...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-[#6](-[#6])-c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
Show InChI InChI=1S/C29H43BrN8O4S/c1-16(2)15-22(37-29(42)35-18(5)19-8-10-20(30)11-9-19)25(40)38-23(17(3)4)26(41)36-21(7-6-12-34-28(31)32)24(39)27-33-13-14-43-27/h8-11,13-14,16-18,21-23H,6-7,12,15H2,1-5H3,(H,36,41)(H,38,40)(H4,31,32,34)(H2,35,37,42)/t18?,21-,22-,23-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)



Assay Description
Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...


J Med Chem 49: 7781-91 (2006)


Article DOI: 10.1021/jm060978s
BindingDB Entry DOI: 10.7270/Q2SJ1HTM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM12968
PNG
((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
Show InChI InChI=1S/C31H45BrN8O4S/c1-18(2)24(27(42)38-23(10-7-15-36-30(33)34)26(41)29-35-16-17-45-29)39-28(43)25(21-8-5-4-6-9-21)40-31(44)37-19(3)20-11-13-22(32)14-12-20/h11-14,16-19,21,23-25H,4-10,15H2,1-3H3,(H,38,42)(H,39,43)(H4,33,34,36)(H2,37,40,44)/t19-,23+,24+,25+/m1/s1
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Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)



Assay Description
Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...


J Med Chem 49: 7781-91 (2006)


Article DOI: 10.1021/jm060978s
BindingDB Entry DOI: 10.7270/Q2SJ1HTM
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50317802
PNG
(3-allyl 5-methyl 2,6-dimethyl-4-(2-nitrophenyl)-1,...)
Show SMILES COC(=O)C1C(C(C(=O)OCC=C)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:15,t:12|
Show InChI InChI=1S/C19H20N2O6/c1-5-10-27-19(23)16-12(3)20-11(2)15(18(22)26-4)17(16)13-8-6-7-9-14(13)21(24)25/h5-9,15,17H,1,10H2,2-4H3
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Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50317813
PNG
(3-ethyl 5-(2-(methacryloyloxy)ethyl)2,6-dimethyl-4...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCCOC(=O)C(C)=C)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:21,t:18|
Show InChI InChI=1S/C23H26N2O8/c1-6-31-22(27)18-14(4)24-15(5)19(23(28)33-11-10-32-21(26)13(2)3)20(18)16-8-7-9-17(12-16)25(29)30/h7-9,12,18,20H,2,6,10-11H2,1,3-5H3
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Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50317817
PNG
(3-cyclohex-2-enyl 5-methyl 2,6-dimethyl-4-(3-nitro...)
Show SMILES COC(=O)C1C(C(C(=O)OC2CCCC=C2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:14,19,t:16|
Show InChI InChI=1S/C22H24N2O6/c1-13-18(21(25)29-3)20(15-8-7-9-16(12-15)24(27)28)19(14(2)23-13)22(26)30-17-10-5-4-6-11-17/h5,7-10,12,17-18,20H,4,6,11H2,1-3H3
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Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50317840
PNG
(CHEMBL1099188 | diethyl 4-(2,3-difluorophenyl)-2,6...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCC)=C(C)N=C1C)c1cccc(F)c1F |c:15,t:12|
Show InChI InChI=1S/C19H21F2NO4/c1-5-25-18(23)14-10(3)22-11(4)15(19(24)26-6-2)16(14)12-8-7-9-13(20)17(12)21/h7-9,14,16H,5-6H2,1-4H3
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Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Oryctolagus cuniculus)
BDBM50317793
PNG
(CHEMBL1094406 | diethyl 2-(chloromethyl)-6-methyl-...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCC)=C(CCl)N=C1C)c1cccc(c1)[N+]([O-])=O |c:16,t:12|
Show InChI InChI=1S/C19H21ClN2O6/c1-4-27-18(23)15-11(3)21-14(10-20)17(19(24)28-5-2)16(15)12-7-6-8-13(9-12)22(25)26/h6-9,15-16H,4-5,10H2,1-3H3
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Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Oryctolagus cuniculus)
BDBM50317794
PNG
(CHEMBL1094740 | diethyl 2-(acetoxymethyl)-6-methyl...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCC)=C(COC(C)=O)N=C1C)c1cccc(c1)[N+]([O-])=O |c:19,t:12|
Show InChI InChI=1S/C21H24N2O8/c1-5-29-20(25)17-12(3)22-16(11-31-13(4)24)19(21(26)30-6-2)18(17)14-8-7-9-15(10-14)23(27)28/h7-10,17-18H,5-6,11H2,1-4H3
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Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Oryctolagus cuniculus)
BDBM50317813
PNG
(3-ethyl 5-(2-(methacryloyloxy)ethyl)2,6-dimethyl-4...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCCOC(=O)C(C)=C)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:21,t:18|
Show InChI InChI=1S/C23H26N2O8/c1-6-31-22(27)18-14(4)24-15(5)19(23(28)33-11-10-32-21(26)13(2)3)20(18)16-8-7-9-17(12-16)25(29)30/h7-9,12,18,20H,2,6,10-11H2,1,3-5H3
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Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Oryctolagus cuniculus)
BDBM50317817
PNG
(3-cyclohex-2-enyl 5-methyl 2,6-dimethyl-4-(3-nitro...)
Show SMILES COC(=O)C1C(C(C(=O)OC2CCCC=C2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:14,19,t:16|
Show InChI InChI=1S/C22H24N2O6/c1-13-18(21(25)29-3)20(15-8-7-9-16(12-15)24(27)28)19(14(2)23-13)22(26)30-17-10-5-4-6-11-17/h5,7-10,12,17-18,20H,4,6,11H2,1-3H3
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Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Oryctolagus cuniculus)
BDBM50317822
PNG
(3-methyl 5-(2,4,6-trichlorobenzyl)2,6-dimethyl-4-(...)
Show SMILES COC(=O)C1C(C(C(=O)OCc2c(Cl)cc(Cl)cc2Cl)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:23,t:20|
Show InChI InChI=1S/C23H19Cl3N2O6/c1-11-19(22(29)33-3)21(13-5-4-6-15(7-13)28(31)32)20(12(2)27-11)23(30)34-10-16-17(25)8-14(24)9-18(16)26/h4-9,19,21H,10H2,1-3H3
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Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Oryctolagus cuniculus)
BDBM50317832
PNG
(3-methyl 5-(4-phenylbutyl)2,6-dimethyl-4-(3-nitrop...)
Show SMILES COC(=O)C1C(C(C(=O)OCCCCc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:23,t:20|
Show InChI InChI=1S/C26H28N2O6/c1-17-22(25(29)33-3)24(20-13-9-14-21(16-20)28(31)32)23(18(2)27-17)26(30)34-15-8-7-12-19-10-5-4-6-11-19/h4-6,9-11,13-14,16,22,24H,7-8,12,15H2,1-3H3
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Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50317833
PNG
(3-methyl 5-(3-phenylbutyl)2,6-dimethyl-4-(3-nitrop...)
Show SMILES COC(=O)C1C(C(C(=O)OCCC(C)c2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:23,t:20|
Show InChI InChI=1S/C26H28N2O6/c1-16(19-9-6-5-7-10-19)13-14-34-26(30)23-18(3)27-17(2)22(25(29)33-4)24(23)20-11-8-12-21(15-20)28(31)32/h5-12,15-16,22,24H,13-14H2,1-4H3
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Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50317836
PNG
(3-methyl 5-(3-phenoxypropyl)2,6-dimethyl-4-(3-nitr...)
Show SMILES COC(=O)C1C(C(C(=O)OCCCOc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:23,t:20|
Show InChI InChI=1S/C25H26N2O7/c1-16-21(24(28)32-3)23(18-9-7-10-19(15-18)27(30)31)22(17(2)26-16)25(29)34-14-8-13-33-20-11-5-4-6-12-20/h4-7,9-12,15,21,23H,8,13-14H2,1-3H3
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Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM12977
PNG
((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccnc1)-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
Show InChI InChI=1S/C31H40BrN9O4S/c1-18(2)25(28(44)39-23(7-5-13-37-30(33)34)26(42)29-36-14-15-46-29)41-27(43)24(16-20-6-4-12-35-17-20)40-31(45)38-19(3)21-8-10-22(32)11-9-21/h4,6,8-12,14-15,17-19,23-25H,5,7,13,16H2,1-3H3,(H,39,44)(H,41,43)(H4,33,34,37)(H2,38,40,45)/t19-,23+,24+,25+/m1/s1
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Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)



Assay Description
Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...


J Med Chem 49: 7781-91 (2006)


Article DOI: 10.1021/jm060978s
BindingDB Entry DOI: 10.7270/Q2SJ1HTM
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50317835
PNG
(3-(2-(benzyloxy)ethyl)5-methyl 2,6-dimethyl-4-(3-n...)
Show SMILES COC(=O)C1C(C(C(=O)OCCOCc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:23,t:20|
Show InChI InChI=1S/C25H26N2O7/c1-16-21(24(28)32-3)23(19-10-7-11-20(14-19)27(30)31)22(17(2)26-16)25(29)34-13-12-33-15-18-8-5-4-6-9-18/h4-11,14,21,23H,12-13,15H2,1-3H3
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n/an/a 12n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Oryctolagus cuniculus)
BDBM50317825
PNG
(3-benzo[d][1,3]dioxol-5-ylmethyl 5-methyl 2,6-dime...)
Show SMILES COC(=O)C1C(C(C(=O)OCc2ccc3OCOc3c2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:24,t:21|
Show InChI InChI=1S/C24H22N2O8/c1-13-20(23(27)31-3)22(16-5-4-6-17(10-16)26(29)30)21(14(2)25-13)24(28)32-11-15-7-8-18-19(9-15)34-12-33-18/h4-10,20,22H,11-12H2,1-3H3
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n/an/a 13n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Oryctolagus cuniculus)
BDBM50317790
PNG
(3-ethyl 5-methyl 6-(methoxymethyl)-2-methyl-4-(3-n...)
Show SMILES CCOC(=O)C1C(C(C(=O)OC)=C(COC)N=C1C)c1cccc(c1)[N+]([O-])=O |c:16,t:11|
Show InChI InChI=1S/C19H22N2O7/c1-5-28-19(23)15-11(2)20-14(10-26-3)17(18(22)27-4)16(15)12-7-6-8-13(9-12)21(24)25/h6-9,15-16H,5,10H2,1-4H3
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n/an/a 14n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50317803
PNG
(3-allyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,...)
Show SMILES COC(=O)C1C(C(C(=O)OCC=C)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:15,t:12|
Show InChI InChI=1S/C19H20N2O6/c1-5-9-27-19(23)16-12(3)20-11(2)15(18(22)26-4)17(16)13-7-6-8-14(10-13)21(24)25/h5-8,10,15,17H,1,9H2,2-4H3
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n/an/a 15n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50317804
PNG
(3-allyl 5-ethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCC=C)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:16,t:13|
Show InChI InChI=1S/C20H22N2O6/c1-5-10-28-20(24)17-13(4)21-12(3)16(19(23)27-6-2)18(17)14-8-7-9-15(11-14)22(25)26/h5,7-9,11,16,18H,1,6,10H2,2-4H3
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n/an/a 15n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50317815
PNG
(3-benzyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1...)
Show SMILES COC(=O)C1C(C(C(=O)OCc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:20,t:17|
Show InChI InChI=1S/C23H22N2O6/c1-14-19(22(26)30-3)21(17-10-7-11-18(12-17)25(28)29)20(15(2)24-14)23(27)31-13-16-8-5-4-6-9-16/h4-12,19,21H,13H2,1-3H3
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Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50317826
PNG
(3-furan-2-ylmethyl 5-methyl 2,6-dimethyl-4-(3-nitr...)
Show SMILES COC(=O)C1C(C(C(=O)OCc2ccco2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:19,t:16|
Show InChI InChI=1S/C21H20N2O7/c1-12-17(20(24)28-3)19(14-6-4-7-15(10-14)23(26)27)18(13(2)22-12)21(25)30-11-16-8-5-9-29-16/h4-10,17,19H,11H2,1-3H3
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Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50317775
PNG
(CHEMBL1099222 | diethyl 2,6-dimethyl-4-(2-(methylt...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCC)=C(C)N=C1C)c1ccccc1SC |c:15,t:12|
Show InChI InChI=1S/C20H25NO4S/c1-6-24-19(22)16-12(3)21-13(4)17(20(23)25-7-2)18(16)14-10-8-9-11-15(14)26-5/h8-11,16,18H,6-7H2,1-5H3
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Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Oryctolagus cuniculus)
BDBM50317803
PNG
(3-allyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,...)
Show SMILES COC(=O)C1C(C(C(=O)OCC=C)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:15,t:12|
Show InChI InChI=1S/C19H20N2O6/c1-5-9-27-19(23)16-12(3)20-11(2)15(18(22)26-4)17(16)13-7-6-8-14(10-13)21(24)25/h5-8,10,15,17H,1,9H2,2-4H3
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Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Oryctolagus cuniculus)
BDBM50317840
PNG
(CHEMBL1099188 | diethyl 4-(2,3-difluorophenyl)-2,6...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCC)=C(C)N=C1C)c1cccc(F)c1F |c:15,t:12|
Show InChI InChI=1S/C19H21F2NO4/c1-5-25-18(23)14-10(3)22-11(4)15(19(24)26-6-2)16(14)12-8-7-9-13(20)17(12)21/h7-9,14,16H,5-6H2,1-4H3
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n/an/a 15n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Oryctolagus cuniculus)
BDBM50317808
PNG
(3-ethyl 5-(2-methoxyethyl)2,6-dimethyl-4-(3-nitrop...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCCOC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:17,t:14|
Show InChI InChI=1S/C20H24N2O7/c1-5-28-19(23)16-12(2)21-13(3)17(20(24)29-10-9-27-4)18(16)14-7-6-8-15(11-14)22(25)26/h6-8,11,16,18H,5,9-10H2,1-4H3
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n/an/a 16n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Oryctolagus cuniculus)
BDBM50317810
PNG
(3-methyl 5-(2,2,2-trifluoroethyl)2,6-dimethyl-4-(3...)
Show SMILES COC(=O)C1C(C(C(=O)OCC(F)(F)F)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:17,t:14|
Show InChI InChI=1S/C18H17F3N2O6/c1-9-13(16(24)28-3)15(11-5-4-6-12(7-11)23(26)27)14(10(2)22-9)17(25)29-8-18(19,20)21/h4-7,13,15H,8H2,1-3H3
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n/an/a 16n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Oryctolagus cuniculus)
BDBM50317834
PNG
(3-(4-(4-methoxyphenyl)butyl)5-methyl 2,6-dimethyl-...)
Show SMILES COC(=O)C1C(C(C(=O)OCCCCc2ccc(OC)cc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:25,t:22|
Show InChI InChI=1S/C27H30N2O7/c1-17-23(26(30)35-4)25(20-9-7-10-21(16-20)29(32)33)24(18(2)28-17)27(31)36-15-6-5-8-19-11-13-22(34-3)14-12-19/h7,9-14,16,23,25H,5-6,8,15H2,1-4H3
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n/an/a 17n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Oryctolagus cuniculus)
BDBM50317787
PNG
(CHEMBL1096376 | diethyl 2-methyl-4-(3-nitrophenyl)...)
Show SMILES CCCC1=C(C(C(C(=O)OCC)C(C)=N1)c1cccc(c1)[N+]([O-])=O)C(=O)OCC |c:13,t:3|
Show InChI InChI=1S/C21H26N2O6/c1-5-9-16-19(21(25)29-7-3)18(14-10-8-11-15(12-14)23(26)27)17(13(4)22-16)20(24)28-6-2/h8,10-12,17-18H,5-7,9H2,1-4H3
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n/an/a 18n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Oryctolagus cuniculus)
BDBM50317829
PNG
(3-(2-(2-chlorophenoxy)ethyl)5-methyl 2,6-dimethyl-...)
Show SMILES COC(=O)C1C(C(C(=O)OCCOc2ccccc2Cl)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:23,t:20|
Show InChI InChI=1S/C24H23ClN2O7/c1-14-20(23(28)32-3)22(16-7-6-8-17(13-16)27(30)31)21(15(2)26-14)24(29)34-12-11-33-19-10-5-4-9-18(19)25/h4-10,13,20,22H,11-12H2,1-3H3
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n/an/a 19n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50317788
PNG
(CHEMBL1094989 | diethyl 2-butyl-6-methyl-4-(3-nitr...)
Show SMILES CCCCC1=C(C(C(C(=O)OCC)C(C)=N1)c1cccc(c1)[N+]([O-])=O)C(=O)OCC |c:14,t:4|
Show InChI InChI=1S/C22H28N2O6/c1-5-8-12-17-20(22(26)30-7-3)19(15-10-9-11-16(13-15)24(27)28)18(14(4)23-17)21(25)29-6-2/h9-11,13,18-19H,5-8,12H2,1-4H3
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Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50317821
PNG
(3-(3,4-difluorobenzyl)5-methyl 2,6-dimethyl-4-(3-n...)
Show SMILES COC(=O)C1C(C(C(=O)OCc2ccc(F)c(F)c2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:22,t:19|
Show InChI InChI=1S/C23H20F2N2O6/c1-12-19(22(28)32-3)21(15-5-4-6-16(10-15)27(30)31)20(13(2)26-12)23(29)33-11-14-7-8-17(24)18(25)9-14/h4-10,19,21H,11H2,1-3H3
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Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Oryctolagus cuniculus)
BDBM50317788
PNG
(CHEMBL1094989 | diethyl 2-butyl-6-methyl-4-(3-nitr...)
Show SMILES CCCCC1=C(C(C(C(=O)OCC)C(C)=N1)c1cccc(c1)[N+]([O-])=O)C(=O)OCC |c:14,t:4|
Show InChI InChI=1S/C22H28N2O6/c1-5-8-12-17-20(22(26)30-7-3)19(15-10-9-11-16(13-15)24(27)28)18(14(4)23-17)21(25)29-6-2/h9-11,13,18-19H,5-8,12H2,1-4H3
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Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Oryctolagus cuniculus)
BDBM50317826
PNG
(3-furan-2-ylmethyl 5-methyl 2,6-dimethyl-4-(3-nitr...)
Show SMILES COC(=O)C1C(C(C(=O)OCc2ccco2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:19,t:16|
Show InChI InChI=1S/C21H20N2O7/c1-12-17(20(24)28-3)19(14-6-4-7-15(10-14)23(26)27)18(13(2)22-12)21(25)30-11-16-8-5-9-29-16/h4-10,17,19H,11H2,1-3H3
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Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel alpha-1C subunit


(Oryctolagus cuniculus)
BDBM50317841
PNG
(CHEMBL1094352 | diethyl 4-(2,4-difluorophenyl)-2,6...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCC)=C(C)N=C1C)c1ccc(F)cc1F |c:15,t:12|
Show InChI InChI=1S/C19H21F2NO4/c1-5-25-18(23)15-10(3)22-11(4)16(19(24)26-6-2)17(15)13-8-7-12(20)9-14(13)21/h7-9,15,17H,5-6H2,1-4H3
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Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
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