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PubMed code 26231163

Compile data set for download or QSAR
Found 50 hits of Enzyme Inhibition Constant Data   
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
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM50116565
PNG
(CHEMBL3608943)
Show SMILES CC(C)[C@H]1c2ccc(F)cc2[C@@H](O)C[C@@]1(CCN(C)CCCc1nc2ccccc2[nH]1)OC(=O)C(C)C |r|
Show InChI InChI=1S/C30H40FN3O3/c1-19(2)28-22-13-12-21(31)17-23(22)26(35)18-30(28,37-29(36)20(3)4)14-16-34(5)15-8-11-27-32-24-9-6-7-10-25(24)33-27/h6-7,9-10,12-13,17,19-20,26,28,35H,8,11,14-16,18H2,1-5H3,(H,32,33)/t26-,28-,30+/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM50116521
PNG
(CHEMBL3609819)
Show SMILES [H][C@]12C[C@](CCN(C)CCCc3nc4cccc(OC)c4[nH]3)(OC(=O)C(C)C)[C@]([H])(CCC1)c1ccccc21 |r,TLB:34:33:3.2:30.32.31,22:3:38.33:30.32.31,THB:37:38:3.2:30.32.31,4:3:38.33:30.32.31|
Show InChI InChI=1S/C31H41N3O3/c1-21(2)30(35)37-31(20-22-10-7-13-25(31)24-12-6-5-11-23(22)24)17-19-34(3)18-9-16-28-32-26-14-8-15-27(36-4)29(26)33-28/h5-6,8,11-12,14-15,21-22,25H,7,9-10,13,16-20H2,1-4H3,(H,32,33)/t22-,25-,31+/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM50116566
PNG
(CHEMBL3608942)
Show SMILES CC(C)[C@H]1c2ccc(F)cc2[C@H](O)C[C@@]1(CCN(C)CCCc1nc2ccccc2[nH]1)OC(=O)C(C)C |r|
Show InChI InChI=1S/C30H40FN3O3/c1-19(2)28-22-13-12-21(31)17-23(22)26(35)18-30(28,37-29(36)20(3)4)14-16-34(5)15-8-11-27-32-24-9-6-7-10-25(24)33-27/h6-7,9-10,12-13,17,19-20,26,28,35H,8,11,14-16,18H2,1-5H3,(H,32,33)/t26-,28+,30-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM50116567
PNG
(CHEMBL3608316)
Show SMILES CC(C)[C@H]1c2ccc(F)cc2[C@H](C[C@@]1(CCN(C)CCCc1nc2ccccc2[nH]1)OC(=O)C(C)C)OCc1ccccc1 |r|
Show InChI InChI=1S/C37H46FN3O3/c1-25(2)35-29-18-17-28(38)22-30(29)33(43-24-27-12-7-6-8-13-27)23-37(35,44-36(42)26(3)4)19-21-41(5)20-11-16-34-39-31-14-9-10-15-32(31)40-34/h6-10,12-15,17-18,22,25-26,33,35H,11,16,19-21,23-24H2,1-5H3,(H,39,40)/t33-,35-,37+/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM50116568
PNG
(CHEMBL3608941)
Show SMILES CC(C)[C@H]1c2ccc(F)cc2[C@@H](C[C@@]1(CCN(C)CCCc1nc2ccccc2[nH]1)OC(=O)C(C)C)OCc1ccccc1 |r|
Show InChI InChI=1S/C37H46FN3O3/c1-25(2)35-29-18-17-28(38)22-30(29)33(43-24-27-12-7-6-8-13-27)23-37(35,44-36(42)26(3)4)19-21-41(5)20-11-16-34-39-31-14-9-10-15-32(31)40-34/h6-10,12-15,17-18,22,25-26,33,35H,11,16,19-21,23-24H2,1-5H3,(H,39,40)/t33-,35+,37-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))		BDBM50116528
PNG
(CHEMBL3608946)
Show SMILES [H][C@@]12CC[C@@]([H])(c3ccccc13)[C@@](CCN(C)CCCc1nc3ccccc3[nH]1)(C2)OC(=O)C1CC1 |r|
Show InChI InChI=1S/C29H35N3O2/c1-32(17-6-11-27-30-25-9-4-5-10-26(25)31-27)18-16-29(34-28(33)20-12-13-20)19-21-14-15-24(29)23-8-3-2-7-22(21)23/h2-5,7-10,20-21,24H,6,11-19H2,1H3,(H,30,31)/t21-,24-,29+/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav1.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM50116573
PNG
(CHEMBL3609822)
Show SMILES CC(C)[C@H]1c2ccc(F)cc2CC[C@@]1(CCN(C)CCCc1nc2ccccc2[nH]1)OC(=O)C(C)C |r|
Show InChI InChI=1S/C30H40FN3O2/c1-20(2)28-24-13-12-23(31)19-22(24)14-15-30(28,36-29(35)21(3)4)16-18-34(5)17-8-11-27-32-25-9-6-7-10-26(25)33-27/h6-7,9-10,12-13,19-21,28H,8,11,14-18H2,1-5H3,(H,32,33)/t28-,30-/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))		BDBM50116568
PNG
(CHEMBL3608941)
Show SMILES CC(C)[C@H]1c2ccc(F)cc2[C@@H](C[C@@]1(CCN(C)CCCc1nc2ccccc2[nH]1)OC(=O)C(C)C)OCc1ccccc1 |r|
Show InChI InChI=1S/C37H46FN3O3/c1-25(2)35-29-18-17-28(38)22-30(29)33(43-24-27-12-7-6-8-13-27)23-37(35,44-36(42)26(3)4)19-21-41(5)20-11-16-34-39-31-14-9-10-15-32(31)40-34/h6-10,12-15,17-18,22,25-26,33,35H,11,16,19-21,23-24H2,1-5H3,(H,39,40)/t33-,35+,37-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav1.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))		BDBM50116571
PNG
(CHEMBL3609824)
Show SMILES CCCC[C@@H]1C[C@@](CCN(C)CCCc2nc3ccccc3[nH]2)(OC(=O)COC)[C@@H](C(C)C)c2ccc(F)cc12 |r|
Show InChI InChI=1S/C33H46FN3O3/c1-6-7-11-24-21-33(40-31(38)22-39-5,32(23(2)3)26-16-15-25(34)20-27(24)26)17-19-37(4)18-10-14-30-35-28-12-8-9-13-29(28)36-30/h8-9,12-13,15-16,20,23-24,32H,6-7,10-11,14,17-19,21-22H2,1-5H3,(H,35,36)/t24-,32+,33-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav1.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
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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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM50116525
PNG
(CHEMBL3609818)
Show SMILES [H][C@]12C[C@](CCN(C)CCCc3nc4ccccc4[nH]3)(OC(=O)C(C)C)[C@]([H])(CCC1)c1ccccc21 |r,TLB:32:31:3.2:28.30.29,20:3:36.31:28.30.29,THB:35:36:3.2:28.30.29,4:3:36.31:28.30.29|
Show InChI InChI=1S/C30H39N3O2/c1-21(2)29(34)35-30(20-22-10-8-13-25(30)24-12-5-4-11-23(22)24)17-19-33(3)18-9-16-28-31-26-14-6-7-15-27(26)32-28/h4-7,11-12,14-15,21-22,25H,8-10,13,16-20H2,1-3H3,(H,31,32)/t22-,25-,30+/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM50116571
PNG
(CHEMBL3609824)
Show SMILES CCCC[C@@H]1C[C@@](CCN(C)CCCc2nc3ccccc3[nH]2)(OC(=O)COC)[C@@H](C(C)C)c2ccc(F)cc12 |r|
Show InChI InChI=1S/C33H46FN3O3/c1-6-7-11-24-21-33(40-31(38)22-39-5,32(23(2)3)26-16-15-25(34)20-27(24)26)17-19-37(4)18-10-14-30-35-28-12-8-9-13-29(28)36-30/h8-9,12-13,15-16,20,23-24,32H,6-7,10-11,14,17-19,21-22H2,1-5H3,(H,35,36)/t24-,32+,33-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(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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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav1.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM50116572
PNG
(CHEMBL3609823)
Show SMILES COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CC(C)(C)c2cc(F)ccc2[C@@H]1C(C)C |r|
Show InChI InChI=1S/C31H42FN3O3/c1-21(2)29-23-14-13-22(32)18-24(23)30(3,4)20-31(29,38-28(36)19-37-6)15-17-35(5)16-9-12-27-33-25-10-7-8-11-26(25)34-27/h7-8,10-11,13-14,18,21,29H,9,12,15-17,19-20H2,1-6H3,(H,33,34)/t29-,31+/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM50116528
PNG
(CHEMBL3608946)
Show SMILES [H][C@@]12CC[C@@]([H])(c3ccccc13)[C@@](CCN(C)CCCc1nc3ccccc3[nH]1)(C2)OC(=O)C1CC1 |r|
Show InChI InChI=1S/C29H35N3O2/c1-32(17-6-11-27-30-25-9-4-5-10-26(25)31-27)18-16-29(34-28(33)20-12-13-20)19-21-14-15-24(29)23-8-3-2-7-22(21)23/h2-5,7-10,20-21,24H,6,11-19H2,1H3,(H,30,31)/t21-,24-,29+/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM50116524
PNG
(CHEMBL3608947)
Show SMILES [H][C@@]12C[C@@](CCN(C)CCCc3nc4ccccc4[nH]3)(OC(=O)C(C)C)[C@@]([H])(CCC1)c1ccccc21 |r,TLB:35:36:2.3:30.28.29,20:3:31.36:30.28.29,4:3:31.36:30.28.29,THB:32:31:2.3:30.28.29|
Show InChI InChI=1S/C30H39N3O2/c1-21(2)29(34)35-30(20-22-10-8-13-25(30)24-12-5-4-11-23(22)24)17-19-33(3)18-9-16-28-31-26-14-6-7-15-27(26)32-28/h4-7,11-12,14-15,21-22,25H,8-10,13,16-20H2,1-3H3,(H,31,32)/t22-,25-,30+/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM50116523
PNG
(CHEMBL3609820)
Show SMILES [H][C@@]12CC[C@@]([H])(c3ccccc13)[C@@](CCN(C)CCCc1nc3ccccc3[nH]1)(C2)OC |r|
Show InChI InChI=1S/C26H33N3O/c1-29(16-7-12-25-27-23-10-5-6-11-24(23)28-25)17-15-26(30-2)18-19-13-14-22(26)21-9-4-3-8-20(19)21/h3-6,8-11,19,22H,7,12-18H2,1-2H3,(H,27,28)/t19-,22-,26+/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))		BDBM50116567
PNG
(CHEMBL3608316)
Show SMILES CC(C)[C@H]1c2ccc(F)cc2[C@H](C[C@@]1(CCN(C)CCCc1nc2ccccc2[nH]1)OC(=O)C(C)C)OCc1ccccc1 |r|
Show InChI InChI=1S/C37H46FN3O3/c1-25(2)35-29-18-17-28(38)22-30(29)33(43-24-27-12-7-6-8-13-27)23-37(35,44-36(42)26(3)4)19-21-41(5)20-11-16-34-39-31-14-9-10-15-32(31)40-34/h6-10,12-15,17-18,22,25-26,33,35H,11,16,19-21,23-24H2,1-5H3,(H,39,40)/t33-,35-,37+/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav1.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM50116524
PNG
(CHEMBL3608947)
Show SMILES [H][C@@]12C[C@@](CCN(C)CCCc3nc4ccccc4[nH]3)(OC(=O)C(C)C)[C@@]([H])(CCC1)c1ccccc21 |r,TLB:35:36:2.3:30.28.29,20:3:31.36:30.28.29,4:3:31.36:30.28.29,THB:32:31:2.3:30.28.29|
Show InChI InChI=1S/C30H39N3O2/c1-21(2)29(34)35-30(20-22-10-8-13-25(30)24-12-5-4-11-23(22)24)17-19-33(3)18-9-16-28-31-26-14-6-7-15-27(26)32-28/h4-7,11-12,14-15,21-22,25H,8-10,13,16-20H2,1-3H3,(H,31,32)/t22-,25-,30+/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM50116569
PNG
(CHEMBL3608940)
Show SMILES CO[C@H]1C[C@@](CCN(C)CCCc2nc3ccccc3[nH]2)(OC(=O)C(C)C)[C@@H](C(C)C)c2ccc(F)cc12 |r|
Show InChI InChI=1S/C31H42FN3O3/c1-20(2)29-23-14-13-22(32)18-24(23)27(37-6)19-31(29,38-30(36)21(3)4)15-17-35(5)16-9-12-28-33-25-10-7-8-11-26(25)34-28/h7-8,10-11,13-14,18,20-21,27,29H,9,12,15-17,19H2,1-6H3,(H,33,34)/t27-,29-,31+/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))		BDBM50116573
PNG
(CHEMBL3609822)
Show SMILES CC(C)[C@H]1c2ccc(F)cc2CC[C@@]1(CCN(C)CCCc1nc2ccccc2[nH]1)OC(=O)C(C)C |r|
Show InChI InChI=1S/C30H40FN3O2/c1-20(2)28-24-13-12-23(31)19-22(24)14-15-30(28,36-29(35)21(3)4)16-18-34(5)17-8-11-27-32-25-9-6-7-10-26(25)33-27/h6-7,9-10,12-13,19-21,28H,8,11,14-18H2,1-5H3,(H,32,33)/t28-,30-/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav1.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM50116526
PNG
(CHEMBL3608945)
Show SMILES [H][C@@]12CC[C@@]([H])(c3ccccc13)[C@@](CCN(C)CCCc1nc3ccccc3[nH]1)(C2)OC(=O)C(C)C |r|
Show InChI InChI=1S/C29H37N3O2/c1-20(2)28(33)34-29(19-21-14-15-24(29)23-10-5-4-9-22(21)23)16-18-32(3)17-8-13-27-30-25-11-6-7-12-26(25)31-27/h4-7,9-12,20-21,24H,8,13-19H2,1-3H3,(H,30,31)/t21-,24-,29+/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM50116526
PNG
(CHEMBL3608945)
Show SMILES [H][C@@]12CC[C@@]([H])(c3ccccc13)[C@@](CCN(C)CCCc1nc3ccccc3[nH]1)(C2)OC(=O)C(C)C |r|
Show InChI InChI=1S/C29H37N3O2/c1-20(2)28(33)34-29(19-21-14-15-24(29)23-10-5-4-9-22(21)23)16-18-32(3)17-8-13-27-30-25-11-6-7-12-26(25)31-27/h4-7,9-12,20-21,24H,8,13-19H2,1-3H3,(H,30,31)/t21-,24-,29+/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM50116564
PNG
(CHEMBL3608944)
Show SMILES [H][C@@]12CC[C@@]([H])(c3ccccc13)[C@@](CCN(C)CCCc1nc3ccccc3[nH]1)(C2)OC(=O)COC |r|
Show InChI InChI=1S/C28H35N3O3/c1-31(16-7-12-26-29-24-10-5-6-11-25(24)30-26)17-15-28(34-27(32)19-33-2)18-20-13-14-23(28)22-9-4-3-8-21(20)22/h3-6,8-11,20,23H,7,12-19H2,1-2H3,(H,29,30)/t20-,23-,28+/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))		BDBM50116521
PNG
(CHEMBL3609819)
Show SMILES [H][C@]12C[C@](CCN(C)CCCc3nc4cccc(OC)c4[nH]3)(OC(=O)C(C)C)[C@]([H])(CCC1)c1ccccc21 |r,TLB:34:33:3.2:30.32.31,22:3:38.33:30.32.31,THB:37:38:3.2:30.32.31,4:3:38.33:30.32.31|
Show InChI InChI=1S/C31H41N3O3/c1-21(2)30(35)37-31(20-22-10-7-13-25(31)24-12-6-5-11-23(22)24)17-19-34(3)18-9-16-28-32-26-14-8-15-27(36-4)29(26)33-28/h5-6,8,11-12,14-15,21-22,25H,7,9-10,13,16-20H2,1-4H3,(H,32,33)/t22-,25-,31+/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav1.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM50116527
PNG
(CHEMBL3609817)
Show SMILES [H][C@]12CC[C@]([H])(c3ccccc13)[C@](CCN(C)CCCc1nc3ccccc3[nH]1)(C2)OC(=O)C(C)C |r|
Show InChI InChI=1S/C29H37N3O2/c1-20(2)28(33)34-29(19-21-14-15-24(29)23-10-5-4-9-22(21)23)16-18-32(3)17-8-13-27-30-25-11-6-7-12-26(25)31-27/h4-7,9-12,20-21,24H,8,13-19H2,1-3H3,(H,30,31)/t21-,24-,29+/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50116521
PNG
(CHEMBL3609819)
Show SMILES [H][C@]12C[C@](CCN(C)CCCc3nc4cccc(OC)c4[nH]3)(OC(=O)C(C)C)[C@]([H])(CCC1)c1ccccc21 |r,TLB:34:33:3.2:30.32.31,22:3:38.33:30.32.31,THB:37:38:3.2:30.32.31,4:3:38.33:30.32.31|
Show InChI InChI=1S/C31H41N3O3/c1-21(2)30(35)37-31(20-22-10-7-13-25(31)24-12-6-5-11-23(22)24)17-19-34(3)18-9-16-28-32-26-14-8-15-27(36-4)29(26)33-28/h5-6,8,11-12,14-15,21-22,25H,7,9-10,13,16-20H2,1-4H3,(H,32,33)/t22-,25-,31+/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK cells by patch clamp assay

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))		BDBM50116569
PNG
(CHEMBL3608940)
Show SMILES CO[C@H]1C[C@@](CCN(C)CCCc2nc3ccccc3[nH]2)(OC(=O)C(C)C)[C@@H](C(C)C)c2ccc(F)cc12 |r|
Show InChI InChI=1S/C31H42FN3O3/c1-20(2)29-23-14-13-22(32)18-24(23)27(37-6)19-31(29,38-30(36)21(3)4)15-17-35(5)16-9-12-28-33-25-10-7-8-11-26(25)34-28/h7-8,10-11,13-14,18,20-21,27,29H,9,12,15-17,19H2,1-6H3,(H,33,34)/t27-,29-,31+/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav1.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))		BDBM50116527
PNG
(CHEMBL3609817)
Show SMILES [H][C@]12CC[C@]([H])(c3ccccc13)[C@](CCN(C)CCCc1nc3ccccc3[nH]1)(C2)OC(=O)C(C)C |r|
Show InChI InChI=1S/C29H37N3O2/c1-20(2)28(33)34-29(19-21-14-15-24(29)23-10-5-4-9-22(21)23)16-18-32(3)17-8-13-27-30-25-11-6-7-12-26(25)31-27/h4-7,9-12,20-21,24H,8,13-19H2,1-3H3,(H,30,31)/t21-,24-,29+/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav1.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))		BDBM50116565
PNG
(CHEMBL3608943)
Show SMILES CC(C)[C@H]1c2ccc(F)cc2[C@@H](O)C[C@@]1(CCN(C)CCCc1nc2ccccc2[nH]1)OC(=O)C(C)C |r|
Show InChI InChI=1S/C30H40FN3O3/c1-19(2)28-22-13-12-21(31)17-23(22)26(35)18-30(28,37-29(36)20(3)4)14-16-34(5)15-8-11-27-32-24-9-6-7-10-25(24)33-27/h6-7,9-10,12-13,17,19-20,26,28,35H,8,11,14-16,18H2,1-5H3,(H,32,33)/t26-,28-,30+/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav1.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))		BDBM50116572
PNG
(CHEMBL3609823)
Show SMILES COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CC(C)(C)c2cc(F)ccc2[C@@H]1C(C)C |r|
Show InChI InChI=1S/C31H42FN3O3/c1-21(2)29-23-14-13-22(32)18-24(23)30(3,4)20-31(29,38-28(36)19-37-6)15-17-35(5)16-9-12-27-33-25-10-7-8-11-26(25)34-27/h7-8,10-11,13-14,18,21,29H,9,12,15-17,19-20H2,1-6H3,(H,33,34)/t29-,31+/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav1.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))		BDBM50116525
PNG
(CHEMBL3609818)
Show SMILES [H][C@]12C[C@](CCN(C)CCCc3nc4ccccc4[nH]3)(OC(=O)C(C)C)[C@]([H])(CCC1)c1ccccc21 |r,TLB:32:31:3.2:28.30.29,20:3:36.31:28.30.29,THB:35:36:3.2:28.30.29,4:3:36.31:28.30.29|
Show InChI InChI=1S/C30H39N3O2/c1-21(2)29(34)35-30(20-22-10-8-13-25(30)24-12-5-4-11-23(22)24)17-19-33(3)18-9-16-28-31-26-14-6-7-15-27(26)32-28/h4-7,11-12,14-15,21-22,25H,8-10,13,16-20H2,1-3H3,(H,31,32)/t22-,25-,30+/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav1.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))		BDBM50116566
PNG
(CHEMBL3608942)
Show SMILES CC(C)[C@H]1c2ccc(F)cc2[C@H](O)C[C@@]1(CCN(C)CCCc1nc2ccccc2[nH]1)OC(=O)C(C)C |r|
Show InChI InChI=1S/C30H40FN3O3/c1-19(2)28-22-13-12-21(31)17-23(22)26(35)18-30(28,37-29(36)20(3)4)14-16-34(5)15-8-11-27-32-24-9-6-7-10-25(24)33-27/h6-7,9-10,12-13,17,19-20,26,28,35H,8,11,14-16,18H2,1-5H3,(H,32,33)/t26-,28+,30-/m1/s1
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n/an/a 504n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav1.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM50116570
PNG
(CHEMBL3609825)
Show SMILES CO[C@@H]1C[C@@](CCN(C)CCCc2nc3ccccc3[nH]2)(OC(=O)C(C)C)[C@@H](C(C)C)c2ccc(F)cc12 |r|
Show InChI InChI=1S/C31H42FN3O3/c1-20(2)29-23-14-13-22(32)18-24(23)27(37-6)19-31(29,38-30(36)21(3)4)15-17-35(5)16-9-12-28-33-25-10-7-8-11-26(25)34-28/h7-8,10-11,13-14,18,20-21,27,29H,9,12,15-17,19H2,1-6H3,(H,33,34)/t27-,29+,31-/m1/s1
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n/an/a 557n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))		BDBM50116570
PNG
(CHEMBL3609825)
Show SMILES CO[C@@H]1C[C@@](CCN(C)CCCc2nc3ccccc3[nH]2)(OC(=O)C(C)C)[C@@H](C(C)C)c2ccc(F)cc12 |r|
Show InChI InChI=1S/C31H42FN3O3/c1-20(2)29-23-14-13-22(32)18-24(23)27(37-6)19-31(29,38-30(36)21(3)4)15-17-35(5)16-9-12-28-33-25-10-7-8-11-26(25)34-28/h7-8,10-11,13-14,18,20-21,27,29H,9,12,15-17,19H2,1-6H3,(H,33,34)/t27-,29+,31-/m1/s1
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n/an/a 588n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav1.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))		BDBM50116524
PNG
(CHEMBL3608947)
Show SMILES [H][C@@]12C[C@@](CCN(C)CCCc3nc4ccccc4[nH]3)(OC(=O)C(C)C)[C@@]([H])(CCC1)c1ccccc21 |r,TLB:35:36:2.3:30.28.29,20:3:31.36:30.28.29,4:3:31.36:30.28.29,THB:32:31:2.3:30.28.29|
Show InChI InChI=1S/C30H39N3O2/c1-21(2)29(34)35-30(20-22-10-8-13-25(30)24-12-5-4-11-23(22)24)17-19-33(3)18-9-16-28-31-26-14-6-7-15-27(26)32-28/h4-7,11-12,14-15,21-22,25H,8-10,13,16-20H2,1-3H3,(H,31,32)/t22-,25-,30+/m0/s1
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n/an/a 648n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav1.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))		BDBM50116524
PNG
(CHEMBL3608947)
Show SMILES [H][C@@]12C[C@@](CCN(C)CCCc3nc4ccccc4[nH]3)(OC(=O)C(C)C)[C@@]([H])(CCC1)c1ccccc21 |r,TLB:35:36:2.3:30.28.29,20:3:31.36:30.28.29,4:3:31.36:30.28.29,THB:32:31:2.3:30.28.29|
Show InChI InChI=1S/C30H39N3O2/c1-21(2)29(34)35-30(20-22-10-8-13-25(30)24-12-5-4-11-23(22)24)17-19-33(3)18-9-16-28-31-26-14-6-7-15-27(26)32-28/h4-7,11-12,14-15,21-22,25H,8-10,13,16-20H2,1-3H3,(H,31,32)/t22-,25-,30+/m0/s1
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n/an/a 648n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav1.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))		BDBM50116526
PNG
(CHEMBL3608945)
Show SMILES [H][C@@]12CC[C@@]([H])(c3ccccc13)[C@@](CCN(C)CCCc1nc3ccccc3[nH]1)(C2)OC(=O)C(C)C |r|
Show InChI InChI=1S/C29H37N3O2/c1-20(2)28(33)34-29(19-21-14-15-24(29)23-10-5-4-9-22(21)23)16-18-32(3)17-8-13-27-30-25-11-6-7-12-26(25)31-27/h4-7,9-12,20-21,24H,8,13-19H2,1-3H3,(H,30,31)/t21-,24-,29+/m0/s1
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n/an/a 699n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav1.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))		BDBM50116526
PNG
(CHEMBL3608945)
Show SMILES [H][C@@]12CC[C@@]([H])(c3ccccc13)[C@@](CCN(C)CCCc1nc3ccccc3[nH]1)(C2)OC(=O)C(C)C |r|
Show InChI InChI=1S/C29H37N3O2/c1-20(2)28(33)34-29(19-21-14-15-24(29)23-10-5-4-9-22(21)23)16-18-32(3)17-8-13-27-30-25-11-6-7-12-26(25)31-27/h4-7,9-12,20-21,24H,8,13-19H2,1-3H3,(H,30,31)/t21-,24-,29+/m0/s1
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n/an/a 699n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav1.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))		BDBM50116564
PNG
(CHEMBL3608944)
Show SMILES [H][C@@]12CC[C@@]([H])(c3ccccc13)[C@@](CCN(C)CCCc1nc3ccccc3[nH]1)(C2)OC(=O)COC |r|
Show InChI InChI=1S/C28H35N3O3/c1-31(16-7-12-26-29-24-10-5-6-11-25(24)30-26)17-15-28(34-27(32)19-33-2)18-20-13-14-23(28)22-9-4-3-8-21(20)22/h3-6,8-11,20,23H,7,12-19H2,1-2H3,(H,29,30)/t20-,23-,28+/m0/s1
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n/an/a 748n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav1.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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 1.30E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK cells by patch clamp assay

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50116521
PNG
(CHEMBL3609819)
Show SMILES [H][C@]12C[C@](CCN(C)CCCc3nc4cccc(OC)c4[nH]3)(OC(=O)C(C)C)[C@]([H])(CCC1)c1ccccc21 |r,TLB:34:33:3.2:30.32.31,22:3:38.33:30.32.31,THB:37:38:3.2:30.32.31,4:3:38.33:30.32.31|
Show InChI InChI=1S/C31H41N3O3/c1-21(2)30(35)37-31(20-22-10-7-13-25(31)24-12-6-5-11-23(22)24)17-19-34(3)18-9-16-28-32-26-14-8-15-27(36-4)29(26)33-28/h5-6,8,11-12,14-15,21-22,25H,7,9-10,13,16-20H2,1-4H3,(H,32,33)/t22-,25-,31+/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes assessed as reduction in dextromethorphan-O demethylation by LC-MS/MS method

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM50116522
PNG
(CHEMBL3609821)
Show SMILES [H][C@@]12CC[C@@]([H])(c3nccnc13)[C@@](CCN(C)CCCc1nc3ccccc3[nH]1)(C2)OC(=O)C(C)C |r|
Show InChI InChI=1S/C27H35N5O2/c1-18(2)26(33)34-27(17-19-10-11-20(27)25-24(19)28-13-14-29-25)12-16-32(3)15-6-9-23-30-21-7-4-5-8-22(21)31-23/h4-5,7-8,13-14,18-20H,6,9-12,15-17H2,1-3H3,(H,30,31)/t19-,20-,27+/m0/s1
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n/an/a 2.07E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))		BDBM50116523
PNG
(CHEMBL3609820)
Show SMILES [H][C@@]12CC[C@@]([H])(c3ccccc13)[C@@](CCN(C)CCCc1nc3ccccc3[nH]1)(C2)OC |r|
Show InChI InChI=1S/C26H33N3O/c1-29(16-7-12-25-27-23-10-5-6-11-24(23)28-25)17-15-26(30-2)18-19-13-14-22(26)21-9-4-3-8-20(19)21/h3-6,8-11,19,22H,7,12-18H2,1-2H3,(H,27,28)/t19-,22-,26+/m0/s1
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n/an/a 2.67E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav1.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50116521
PNG
(CHEMBL3609819)
Show SMILES [H][C@]12C[C@](CCN(C)CCCc3nc4cccc(OC)c4[nH]3)(OC(=O)C(C)C)[C@]([H])(CCC1)c1ccccc21 |r,TLB:34:33:3.2:30.32.31,22:3:38.33:30.32.31,THB:37:38:3.2:30.32.31,4:3:38.33:30.32.31|
Show InChI InChI=1S/C31H41N3O3/c1-21(2)30(35)37-31(20-22-10-7-13-25(31)24-12-6-5-11-23(22)24)17-19-34(3)18-9-16-28-32-26-14-8-15-27(36-4)29(26)33-28/h5-6,8,11-12,14-15,21-22,25H,7,9-10,13,16-20H2,1-4H3,(H,32,33)/t22-,25-,31+/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes assessed as reduction in midazolam 1'-hydroxylation by LC-MS/MS method

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))		BDBM50116522
PNG
(CHEMBL3609821)
Show SMILES [H][C@@]12CC[C@@]([H])(c3nccnc13)[C@@](CCN(C)CCCc1nc3ccccc3[nH]1)(C2)OC(=O)C(C)C |r|
Show InChI InChI=1S/C27H35N5O2/c1-18(2)26(33)34-27(17-19-10-11-20(27)25-24(19)28-13-14-29-25)12-16-32(3)15-6-9-23-30-21-7-4-5-8-22(21)31-23/h4-5,7-8,13-14,18-20H,6,9-12,15-17H2,1-3H3,(H,30,31)/t19-,20-,27+/m0/s1
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n/an/a>4.60E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav1.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR ...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50116521
PNG
(CHEMBL3609819)
Show SMILES [H][C@]12C[C@](CCN(C)CCCc3nc4cccc(OC)c4[nH]3)(OC(=O)C(C)C)[C@]([H])(CCC1)c1ccccc21 |r,TLB:34:33:3.2:30.32.31,22:3:38.33:30.32.31,THB:37:38:3.2:30.32.31,4:3:38.33:30.32.31|
Show InChI InChI=1S/C31H41N3O3/c1-21(2)30(35)37-31(20-22-10-7-13-25(31)24-12-6-5-11-23(22)24)17-19-34(3)18-9-16-28-32-26-14-8-15-27(36-4)29(26)33-28/h5-6,8,11-12,14-15,21-22,25H,7,9-10,13,16-20H2,1-4H3,(H,32,33)/t22-,25-,31+/m1/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes assessed as reduction in testosterone 6beta-hydroxylation by LC-MS/MS method

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50116521
PNG
(CHEMBL3609819)
Show SMILES [H][C@]12C[C@](CCN(C)CCCc3nc4cccc(OC)c4[nH]3)(OC(=O)C(C)C)[C@]([H])(CCC1)c1ccccc21 |r,TLB:34:33:3.2:30.32.31,22:3:38.33:30.32.31,THB:37:38:3.2:30.32.31,4:3:38.33:30.32.31|
Show InChI InChI=1S/C31H41N3O3/c1-21(2)30(35)37-31(20-22-10-7-13-25(31)24-12-6-5-11-23(22)24)17-19-34(3)18-9-16-28-32-26-14-8-15-27(36-4)29(26)33-28/h5-6,8,11-12,14-15,21-22,25H,7,9-10,13,16-20H2,1-4H3,(H,32,33)/t22-,25-,31+/m1/s1
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n/an/a 3.20E+4n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes assessed as reduction in diclofenac 4'-hydroxylation by LC-MS/MS method

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50116521
PNG
(CHEMBL3609819)
Show SMILES [H][C@]12C[C@](CCN(C)CCCc3nc4cccc(OC)c4[nH]3)(OC(=O)C(C)C)[C@]([H])(CCC1)c1ccccc21 |r,TLB:34:33:3.2:30.32.31,22:3:38.33:30.32.31,THB:37:38:3.2:30.32.31,4:3:38.33:30.32.31|
Show InChI InChI=1S/C31H41N3O3/c1-21(2)30(35)37-31(20-22-10-7-13-25(31)24-12-6-5-11-23(22)24)17-19-34(3)18-9-16-28-32-26-14-8-15-27(36-4)29(26)33-28/h5-6,8,11-12,14-15,21-22,25H,7,9-10,13,16-20H2,1-4H3,(H,32,33)/t22-,25-,31+/m1/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Time dependent inhibition of CYP3A4 in human liver microsomes assessed as reduction in testosterone 6beta-hydroxylation incubated for 60 mins in pres...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(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 1.40E+5n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Time dependent inhibition of CYP3A4 in human liver microsomes assessed as reduction in testosterone 6beta-hydroxylation incubated for 60 mins in pres...

Bioorg Med Chem Lett 25: 3941-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.038
BindingDB Entry DOI: 10.7270/Q24M96BF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
* indicates data uncertainty>20%