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Compile Data Set for Download or QSAR

Found 91 hits Enz. Inhib. hit(s) with all data for entry = 50047829   
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-1G


(Homo sapiens (Human))
BDBM50192668
PNG
(CHEMBL1684950)
Show SMILES CC(C)c1ccc(CC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cn2)cc1 |r|
Show InChI InChI=1S/C20H23F3N2O2/c1-13(2)16-6-4-15(5-7-16)10-19(26)25-14(3)18-9-8-17(11-24-18)27-12-20(21,22)23/h4-9,11,13-14H,10,12H2,1-3H3,(H,25,26)/t14-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.1 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))
BDBM50192668
PNG
(CHEMBL1684950)
Show SMILES CC(C)c1ccc(CC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cn2)cc1 |r|
Show InChI InChI=1S/C20H23F3N2O2/c1-13(2)16-6-4-15(5-7-16)10-19(26)25-14(3)18-9-8-17(11-24-18)27-12-20(21,22)23/h4-9,11,13-14H,10,12H2,1-3H3,(H,25,26)/t14-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.3 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192668
PNG
(CHEMBL1684950)
Show SMILES CC(C)c1ccc(CC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cn2)cc1 |r|
Show InChI InChI=1S/C20H23F3N2O2/c1-13(2)16-6-4-15(5-7-16)10-19(26)25-14(3)18-9-8-17(11-24-18)27-12-20(21,22)23/h4-9,11,13-14H,10,12H2,1-3H3,(H,25,26)/t14-/m1/s1
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n/an/a 8.20n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192659
PNG
(CHEMBL3894794)
Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccc(Br)cc2)cc1 |c:9|
Show InChI InChI=1S/C22H16BrF2N3O/c23-16-5-1-14(2-6-16)20-13-21(15-3-7-17(24)8-4-15)28(27-20)22(29)26-19-11-9-18(25)10-12-19/h1-12,21H,13H2,(H,26,29)
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n/an/a 16n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192669
PNG
(CHEMBL3962647)
Show SMILES Fc1ccc(NC(=O)N2N=C(C[C@H]2c2ccc(F)cc2)c2ccncc2)cc1 |r,c:9|
Show InChI InChI=1S/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)/t20-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant T-type calcium channel Cav3.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of CaCl2-induced calcium in...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192739
PNG
(CHEMBL3981633)
Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccccc2)cc1 |c:9|
Show InChI InChI=1S/C22H17F2N3O/c23-17-8-6-16(7-9-17)21-14-20(15-4-2-1-3-5-15)26-27(21)22(28)25-19-12-10-18(24)11-13-19/h1-13,21H,14H2,(H,25,28)
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n/an/a 25n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant T-type calcium channel Cav3.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of CaCl2-induced calcium in...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50192665
PNG
(CHEMBL3892579)
Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9|
Show InChI InChI=1S/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)
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n/an/a 29n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel Cav3.1 (unknown origin) expressed in HEK293 cells assessed as calcium influx by Fluo-4-AM dye-based FLIPR assay


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192688
PNG
(CHEMBL3928071)
Show SMILES COc1ccc(cc1)[C@]1(CCO)CC(=NN1C(=O)Nc1ccc(Br)cc1)c1cccnc1 |r,c:14|
Show InChI InChI=1S/C24H23BrN4O3/c1-32-21-10-4-18(5-11-21)24(12-14-30)15-22(17-3-2-13-26-16-17)28-29(24)23(31)27-20-8-6-19(25)7-9-20/h2-11,13,16,30H,12,14-15H2,1H3,(H,27,31)/t24-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192665
PNG
(CHEMBL3892579)
Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9|
Show InChI InChI=1S/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)
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n/an/a 33n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant T-type calcium channel Cav3.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of CaCl2-induced calcium in...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50192689
PNG
(CHEMBL3934636)
Show SMILES CC(C)(C)NC(=O)CN1CCC(CNC(=O)c2cc(F)cc(Cl)c2)CC1
Show InChI InChI=1S/C19H27ClFN3O2/c1-19(2,3)23-17(25)12-24-6-4-13(5-7-24)11-22-18(26)14-8-15(20)10-16(21)9-14/h8-10,13H,4-7,11-12H2,1-3H3,(H,22,26)(H,23,25)
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n/an/a 37n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.1 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192670
PNG
(CHEMBL3964030)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1CC(=NN1C(=O)Nc1ccc(F)cc1)c1ccccc1 |c:13|
Show InChI InChI=1S/C23H20FN3O3S/c1-31(29,30)20-13-7-17(8-14-20)22-15-21(16-5-3-2-4-6-16)26-27(22)23(28)25-19-11-9-18(24)10-12-19/h2-14,22H,15H2,1H3,(H,25,28)
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n/an/a 40n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192736
PNG
(CHEMBL3966141)
Show SMILES Fc1ccc(cc1)C1CC(=NN1C(=O)Nc1cccc(F)c1)c1ccc(Br)cc1 |c:10|
Show InChI InChI=1S/C22H16BrF2N3O/c23-16-8-4-14(5-9-16)20-13-21(15-6-10-17(24)11-7-15)28(27-20)22(29)26-19-3-1-2-18(25)12-19/h1-12,21H,13H2,(H,26,29)
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n/an/a 46n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192692
PNG
(CHEMBL3966824)
Show SMILES COc1ccc(cc1)C1=NN(C(=O)Nc2ccc(Cl)cc2)[C@@](CCO)(C1)c1cccnc1 |r,t:9|
Show InChI InChI=1S/C24H23ClN4O3/c1-32-21-10-4-17(5-11-21)22-15-24(12-14-30,18-3-2-13-26-16-18)29(28-22)23(31)27-20-8-6-19(25)7-9-20/h2-11,13,16,30H,12,14-15H2,1H3,(H,27,31)/t24-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant T-type calcium channel Cav3.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of CaCl2-induced calcium in...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192662
PNG
(CHEMBL3969496)
Show SMILES COCCOc1ccc(cc1)C1(CCO)CC(=NN1C(=O)Nc1ccc(F)cc1)c1ccccc1 |c:17|
Show InChI InChI=1S/C27H28FN3O4/c1-34-17-18-35-24-13-7-21(8-14-24)27(15-16-32)19-25(20-5-3-2-4-6-20)30-31(27)26(33)29-23-11-9-22(28)10-12-23/h2-14,32H,15-19H2,1H3,(H,29,33)
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n/an/a 60n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192657
PNG
(CHEMBL3901517)
Show SMILES Fc1ccc(cc1)C1CC(=NN1C(=O)Nc1ccccc1)c1ccc(Br)cc1 |c:10|
Show InChI InChI=1S/C22H17BrFN3O/c23-17-10-6-15(7-11-17)20-14-21(16-8-12-18(24)13-9-16)27(26-20)22(28)25-19-4-2-1-3-5-19/h1-13,21H,14H2,(H,25,28)
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n/an/a 68n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant T-type calcium channel Cav3.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of CaCl2-induced calcium in...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192734
PNG
(CHEMBL3947301)
Show SMILES OCC1(CC(=NN1C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccc(F)cc1 |c:4|
Show InChI InChI=1S/C23H19F2N3O2/c24-18-8-6-17(7-9-18)23(15-29)14-21(16-4-2-1-3-5-16)27-28(23)22(30)26-20-12-10-19(25)11-13-20/h1-13,29H,14-15H2,(H,26,30)
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n/an/a 70n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192689
PNG
(CHEMBL3934636)
Show SMILES CC(C)(C)NC(=O)CN1CCC(CNC(=O)c2cc(F)cc(Cl)c2)CC1
Show InChI InChI=1S/C19H27ClFN3O2/c1-19(2,3)23-17(25)12-24-6-4-13(5-7-24)11-22-18(26)14-8-15(20)10-16(21)9-14/h8-10,13H,4-7,11-12H2,1-3H3,(H,22,26)(H,23,25)
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n/an/a 73n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant T-type calcium channel Cav3.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of CaCl2-induced calcium in...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))
BDBM50192689
PNG
(CHEMBL3934636)
Show SMILES CC(C)(C)NC(=O)CN1CCC(CNC(=O)c2cc(F)cc(Cl)c2)CC1
Show InChI InChI=1S/C19H27ClFN3O2/c1-19(2,3)23-17(25)12-24-6-4-13(5-7-24)11-22-18(26)14-8-15(20)10-16(21)9-14/h8-10,13H,4-7,11-12H2,1-3H3,(H,22,26)(H,23,25)
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n/an/a 86n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel Cav3.3 (unknown origin) expressed in HEK293 cells assessed as calcium influx by Fluo-4-AM dye-based FLIPR assay


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192698
PNG
(CHEMBL3893662)
Show SMILES [O-][n+]1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)C(=O)Nc1ccc(F)cc1 |t:8|
Show InChI InChI=1S/C21H16F2N4O2/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-26(29)12-10-14)25-27(20)21(28)24-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,24,28)
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n/an/a 110n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant T-type calcium channel Cav3.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of CaCl2-induced calcium in...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192655
PNG
(CHEMBL3946972)
Show SMILES OCCC1(CC(=NN1C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccccc1 |c:5|
Show InChI InChI=1S/C24H22FN3O2/c25-20-11-13-21(14-12-20)26-23(30)28-24(15-16-29,19-9-5-2-6-10-19)17-22(27-28)18-7-3-1-4-8-18/h1-14,29H,15-17H2,(H,26,30)
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192693
PNG
(CHEMBL3898970)
Show SMILES COc1ccc(cc1)C1(CCO)CC(=NN1C(=O)Nc1ccc(Br)cc1)c1cccnc1 |c:14|
Show InChI InChI=1S/C24H23BrN4O3/c1-32-21-10-4-18(5-11-21)24(12-14-30)15-22(17-3-2-13-26-16-17)28-29(24)23(31)27-20-8-6-19(25)7-9-20/h2-11,13,16,30H,12,14-15H2,1H3,(H,27,31)
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192694
PNG
(CHEMBL3960151)
Show SMILES Fc1ccc(cc1)C1CC(=NN1C(=O)Nc1ccncc1)c1ccccc1 |c:10|
Show InChI InChI=1S/C21H17FN4O/c22-17-8-6-16(7-9-17)20-14-19(15-4-2-1-3-5-15)25-26(20)21(27)24-18-10-12-23-13-11-18/h1-13,20H,14H2,(H,23,24,27)
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant T-type calcium channel Cav3.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of CaCl2-induced calcium in...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192665
PNG
(CHEMBL3892579)
Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9|
Show InChI InChI=1S/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in CHO cells assessed as inhibition of calcium tail current at -60 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192738
PNG
(CHEMBL3930559)
Show SMILES CN(C)CCC1(CC(=NN1C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccc(C)cc1 |c:7|
Show InChI InChI=1S/C27H29FN4O/c1-20-9-11-22(12-10-20)27(17-18-31(2)3)19-25(21-7-5-4-6-8-21)30-32(27)26(33)29-24-15-13-23(28)14-16-24/h4-16H,17-19H2,1-3H3,(H,29,33)
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192700
PNG
(CHEMBL3897833)
Show SMILES Fc1ccc(NC(=S)N2N=C(CC2c2ccc(F)cc2)c2ccc(Br)cc2)cc1 |c:9|
Show InChI InChI=1S/C22H16BrF2N3S/c23-16-5-1-14(2-6-16)20-13-21(15-3-7-17(24)8-4-15)28(27-20)22(29)26-19-11-9-18(25)10-12-19/h1-12,21H,13H2,(H,26,29)
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant T-type calcium channel Cav3.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of CaCl2-induced calcium in...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192699
PNG
(CHEMBL3942685)
Show SMILES Fc1ccc(cc1)C1CC(=NN1C(=O)NC1CCCCC1)c1ccc(Br)cc1 |c:10|
Show InChI InChI=1S/C22H23BrFN3O/c23-17-10-6-15(7-11-17)20-14-21(16-8-12-18(24)13-9-16)27(26-20)22(28)25-19-4-2-1-3-5-19/h6-13,19,21H,1-5,14H2,(H,25,28)
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant T-type calcium channel Cav3.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of CaCl2-induced calcium in...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192661
PNG
(CHEMBL3920575)
Show SMILES Fc1ccc(NC(=O)N2N=C(C[C@@H]2c2ccc(F)cc2)c2ccncc2)cc1 |r,c:9|
Show InChI InChI=1S/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)/t20-/m1/s1
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192737
PNG
(CHEMBL3910259)
Show SMILES Cc1ccc(cc1)C1(CCO)CC(=NN1C(=O)Nc1ccc(F)cc1)c1ccncc1 |c:13|
Show InChI InChI=1S/C24H23FN4O2/c1-17-2-4-19(5-3-17)24(12-15-30)16-22(18-10-13-26-14-11-18)28-29(24)23(31)27-21-8-6-20(25)7-9-21/h2-11,13-14,30H,12,15-16H2,1H3,(H,27,31)
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))
BDBM50192665
PNG
(CHEMBL3892579)
Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9|
Show InChI InChI=1S/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)
PDB

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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel Cav3.3 (unknown origin) expressed in HEK293 cells assessed as calcium influx by Fluo-4-AM dye-based FLIPR assay


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192663
PNG
(CHEMBL3941425)
Show SMILES COCC1(CC(=NN1C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccc(C)cc1 |c:5|
Show InChI InChI=1S/C25H24FN3O2/c1-18-8-10-20(11-9-18)25(17-31-2)16-23(19-6-4-3-5-7-19)28-29(25)24(30)27-22-14-12-21(26)13-15-22/h3-15H,16-17H2,1-2H3,(H,27,30)
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192660
PNG
(CHEMBL3923714)
Show SMILES CC(C)NC(=O)N1N=C(CC1c1ccc(F)cc1)c1ccc(Br)cc1 |c:7|
Show InChI InChI=1S/C19H19BrFN3O/c1-12(2)22-19(25)24-18(14-5-9-16(21)10-6-14)11-17(23-24)13-3-7-15(20)8-4-13/h3-10,12,18H,11H2,1-2H3,(H,22,25)
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192697
PNG
(CHEMBL3969020)
Show SMILES Fc1ccc(cc1)C1CC(=NN1C(=O)Nc1ccccn1)c1ccc(Br)cc1 |c:10|
Show InChI InChI=1S/C21H16BrFN4O/c22-16-8-4-14(5-9-16)18-13-19(15-6-10-17(23)11-7-15)27(26-18)21(28)25-20-3-1-2-12-24-20/h1-12,19H,13H2,(H,24,25,28)
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant T-type calcium channel Cav3.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of CaCl2-induced calcium in...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192691
PNG
(CHEMBL3919508)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1CC(=NN1C(=O)Nc1ccc(F)cc1)c1ccncc1 |c:13|
Show InChI InChI=1S/C22H19FN4O3S/c1-31(29,30)19-8-2-16(3-9-19)21-14-20(15-10-12-24-13-11-15)26-27(21)22(28)25-18-6-4-17(23)5-7-18/h2-13,21H,14H2,1H3,(H,25,28)
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant T-type calcium channel Cav3.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of CaCl2-induced calcium in...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192690
PNG
(CHEMBL3973610)
Show SMILES CC1CC(=NN1C(=O)Nc1ccc(F)cc1)c1ccccc1 |c:3|
Show InChI InChI=1S/C17H16FN3O/c1-12-11-16(13-5-3-2-4-6-13)20-21(12)17(22)19-15-9-7-14(18)8-10-15/h2-10,12H,11H2,1H3,(H,19,22)
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant T-type calcium channel Cav3.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of CaCl2-induced calcium in...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192741
PNG
(CHEMBL3937064)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1(CCO)CC(=NN1C(=O)Nc1ccc(F)cc1)c1ccccc1 |c:16|
Show InChI InChI=1S/C25H24FN3O4S/c1-34(32,33)22-13-7-19(8-14-22)25(15-16-30)17-23(18-5-3-2-4-6-18)28-29(25)24(31)27-21-11-9-20(26)10-12-21/h2-14,30H,15-17H2,1H3,(H,27,31)
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192740
PNG
(CHEMBL3932660)
Show SMILES Fc1ccc(cc1)C1CC(=NN1C(=O)NCCc1ccccc1)c1ccc(Br)cc1 |c:10|
Show InChI InChI=1S/C24H21BrFN3O/c25-20-10-6-18(7-11-20)22-16-23(19-8-12-21(26)13-9-19)29(28-22)24(30)27-15-14-17-4-2-1-3-5-17/h1-13,23H,14-16H2,(H,27,30)
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192664
PNG
(CHEMBL3902564)
Show SMILES Cc1ccc(cc1)C1(CCN2CCOCC2)CC(=NN1C(=O)Nc1ccc(F)cc1)c1ccccc1 |c:19|
Show InChI InChI=1S/C29H31FN4O2/c1-22-7-9-24(10-8-22)29(15-16-33-17-19-36-20-18-33)21-27(23-5-3-2-4-6-23)32-34(29)28(35)31-26-13-11-25(30)12-14-26/h2-14H,15-21H2,1H3,(H,31,35)
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant T-type calcium channel Cav3.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of CaCl2-induced calcium in...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192667
PNG
(CHEMBL3933724)
Show SMILES COc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccc(Br)cc2)cc1 |c:10|
Show InChI InChI=1S/C23H19BrFN3O2/c1-30-20-12-10-19(11-13-20)26-23(29)28-22(16-4-8-18(25)9-5-16)14-21(27-28)15-2-6-17(24)7-3-15/h2-13,22H,14H2,1H3,(H,26,29)
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant T-type calcium channel Cav3.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of CaCl2-induced calcium in...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50192665
PNG
(CHEMBL3892579)
Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9|
Show InChI InChI=1S/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)
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n/an/a 450n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.1 expressed in CHO cells assessed as inhibition of calcium tail current at -60 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192733
PNG
(CHEMBL3914689)
Show SMILES CCc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccc(Br)cc2)cc1 |c:10|
Show InChI InChI=1S/C24H21BrFN3O/c1-2-16-3-13-21(14-4-16)27-24(30)29-23(18-7-11-20(26)12-8-18)15-22(28-29)17-5-9-19(25)10-6-17/h3-14,23H,2,15H2,1H3,(H,27,30)
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n/an/a 613n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant T-type calcium channel Cav3.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of CaCl2-induced calcium in...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192666
PNG
(CHEMBL3893591)
Show SMILES CN1CCN(CCC2(CC(=NN2C(=O)Nc2ccc(F)cc2)c2ccccc2)c2ccc(C)cc2)CC1 |c:9|
Show InChI InChI=1S/C30H34FN5O/c1-23-8-10-25(11-9-23)30(16-17-35-20-18-34(2)19-21-35)22-28(24-6-4-3-5-7-24)33-36(30)29(37)32-27-14-12-26(31)13-15-27/h3-15H,16-22H2,1-2H3,(H,32,37)
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n/an/a 690n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192654
PNG
(CHEMBL3911637)
Show SMILES CC1=NN(C(C1)c1ccc(F)cc1)C(=O)Nc1ccc(F)cc1 |t:1|
Show InChI InChI=1S/C17H15F2N3O/c1-11-10-16(12-2-4-13(18)5-3-12)22(21-11)17(23)20-15-8-6-14(19)7-9-15/h2-9,16H,10H2,1H3,(H,20,23)
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n/an/a 900n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM50192699
PNG
(CHEMBL3942685)
Show SMILES Fc1ccc(cc1)C1CC(=NN1C(=O)NC1CCCCC1)c1ccc(Br)cc1 |c:10|
Show InChI InChI=1S/C22H23BrFN3O/c23-17-10-6-15(7-11-17)20-14-21(16-8-12-18(24)13-9-16)27(26-20)22(28)25-19-4-2-1-3-5-19/h6-13,19,21H,1-5,14H2,(H,25,28)
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n/an/a 1.34E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant T-type calcium channel Cav1.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of Kcl-induced calcium infl...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192665
PNG
(CHEMBL3892579)
Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9|
Show InChI InChI=1S/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50192665
PNG
(CHEMBL3892579)
Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9|
Show InChI InChI=1S/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin) using testosterone as substrate


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50192665
PNG
(CHEMBL3892579)
Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9|
Show InChI InChI=1S/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50192665
PNG
(CHEMBL3892579)
Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9|
Show InChI InChI=1S/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.1 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM50192740
PNG
(CHEMBL3932660)
Show SMILES Fc1ccc(cc1)C1CC(=NN1C(=O)NCCc1ccccc1)c1ccc(Br)cc1 |c:10|
Show InChI InChI=1S/C24H21BrFN3O/c25-20-10-6-18(7-11-20)22-16-23(19-8-12-21(26)13-9-19)29(28-22)24(30)27-15-14-17-4-2-1-3-5-17/h1-13,23H,14-16H2,(H,27,30)
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n/an/a 1.88E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant T-type calcium channel Cav1.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of Kcl-induced calcium infl...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM50192655
PNG
(CHEMBL3946972)
Show SMILES OCCC1(CC(=NN1C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccccc1 |c:5|
Show InChI InChI=1S/C24H22FN3O2/c25-20-11-13-21(14-12-20)26-23(30)28-24(15-16-29,19-9-5-2-6-10-19)17-22(27-28)18-7-3-1-4-8-18/h1-14,29H,15-17H2,(H,26,30)
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n/an/a 1.94E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant T-type calcium channel Cav1.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of Kcl-induced calcium infl...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))
BDBM50192665
PNG
(CHEMBL3892579)
Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9|
Show InChI InChI=1S/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.3 expressed in CHO cells assessed as inhibition of calcium tail current at -60 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
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