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Compile Data Set for Download or QSAR

Found 121 hits with Last Name = 'gaston' and Initial = 'r'   
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
CREB-binding protein/p53


(Homo sapiens (Human))
BDBM50229787
PNG
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)
Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6|
Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53-Ser15 phosphorylation in human HCT116 cells after 24 hrs


J Med Chem 52: 7044-53 (2009)


Article DOI: 10.1021/jm900681h
BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (Human))
BDBM50025671
PNG
(CHEMBL583413)
Show SMILES CN1c2ncnn2C(C2=C1c1cc(C)ccc1OC2c1ccc(Br)cc1)c1ccc(Br)cc1 |c:9|
Show InChI InChI=1/C26H20Br2N4O/c1-15-3-12-21-20(13-15)24-22(25(33-21)17-6-10-19(28)11-7-17)23(16-4-8-18(27)9-5-16)32-26(31(24)2)29-14-30-32/h3-14,23,25H,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53-Ser15 phosphorylation in human HCT116 cells after 24 hrs


J Med Chem 52: 7044-53 (2009)


Article DOI: 10.1021/jm900681h
BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(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=1/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-/s2
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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)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (Human))
BDBM50229787
PNG
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)
Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6|
Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...


J Med Chem 52: 7044-53 (2009)


Article DOI: 10.1021/jm900681h
BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(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=1/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-/s2
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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)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (Human))
BDBM50025671
PNG
(CHEMBL583413)
Show SMILES CN1c2ncnn2C(C2=C1c1cc(C)ccc1OC2c1ccc(Br)cc1)c1ccc(Br)cc1 |c:9|
Show InChI InChI=1/C26H20Br2N4O/c1-15-3-12-21-20(13-15)24-22(25(33-21)17-6-10-19(28)11-7-17)23(16-4-8-18(27)9-5-16)32-26(31(24)2)29-14-30-32/h3-14,23,25H,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...


J Med Chem 52: 7044-53 (2009)


Article DOI: 10.1021/jm900681h
BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (Human))
BDBM50299820
PNG
((+/-)-syn-6,7-Bis(4-bromophenyl)-1-ethoxy-12-methy...)
Show SMILES CCOc1cccc2OC(C3=C(N(C)c4ncnn4C3c3ccc(Br)cc3)c12)c1ccc(Br)cc1 |t:10|
Show InChI InChI=1S/C27H22Br2N4O2/c1-3-34-20-5-4-6-21-22(20)25-23(26(35-21)17-9-13-19(29)14-10-17)24(16-7-11-18(28)12-8-16)33-27(32(25)2)30-15-31-33/h4-15,24,26H,3H2,1-2H3
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n/an/a 6.5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...


J Med Chem 52: 7044-53 (2009)


Article DOI: 10.1021/jm900681h
BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
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=1/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-/s2
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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)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (Human))
BDBM50299822
PNG
((+/-)-syn-6,7-Bis(4-chlorophenyl)-12-methyl-7,12-d...)
Show SMILES CN1c2ncnn2C(C2=C1c1ccccc1OC2c1ccc(Cl)cc1)c1ccc(Cl)cc1 |c:9|
Show InChI InChI=1S/C25H18Cl2N4O/c1-30-23-19-4-2-3-5-20(19)32-24(16-8-12-18(27)13-9-16)21(23)22(31-25(30)28-14-29-31)15-6-10-17(26)11-7-15/h2-14,22,24H,1H3
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n/an/a 9.40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...


J Med Chem 52: 7044-53 (2009)


Article DOI: 10.1021/jm900681h
BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (Human))
BDBM50299818
PNG
((+/-)-syn-6,7-Bis(4-bromophenyl)-3-fluoro-2,12-dim...)
Show SMILES CN1c2ncnn2C(C2=C1c1cc(C)c(F)cc1OC2c1ccc(Br)cc1)c1ccc(Br)cc1 |c:9|
Show InChI InChI=1S/C26H19Br2FN4O/c1-14-11-19-21(12-20(14)29)34-25(16-5-9-18(28)10-6-16)22-23(15-3-7-17(27)8-4-15)33-26(30-13-31-33)32(2)24(19)22/h3-13,23,25H,1-2H3
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Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...


J Med Chem 52: 7044-53 (2009)


Article DOI: 10.1021/jm900681h
BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (Human))
BDBM50299821
PNG
((+/-)-syn-7-(4-Bromophenyl)-6-(4-chlorophenyl)-12-...)
Show SMILES CN1c2ncnn2C(C2=C1c1ccccc1OC2c1ccc(Cl)cc1)c1ccc(Br)cc1 |c:9|
Show InChI InChI=1S/C25H18BrClN4O/c1-30-23-19-4-2-3-5-20(19)32-24(16-8-12-18(27)13-9-16)21(23)22(31-25(30)28-14-29-31)15-6-10-17(26)11-7-15/h2-14,22,24H,1H3
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n/an/a 15n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...


J Med Chem 52: 7044-53 (2009)


Article DOI: 10.1021/jm900681h
BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
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=1/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)


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=1/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-/s2
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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)


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=1/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)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50192665
PNG
(CHEMBL3892579)
Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9|
Show InChI InChI=1/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)


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=1/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)


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=1/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-/s2
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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)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(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)


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=1/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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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)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (Human))
BDBM50299819
PNG
((+/-)-syn-6,7-Bis(4-bromophenyl)-2-fluoro-12-methy...)
Show SMILES CN1c2ncnn2C(C2=C1c1cc(F)ccc1OC2c1ccc(Br)cc1)c1ccc(Br)cc1 |c:9|
Show InChI InChI=1S/C25H17Br2FN4O/c1-31-23-19-12-18(28)10-11-20(19)33-24(15-4-8-17(27)9-5-15)21(23)22(32-25(31)29-13-30-32)14-2-6-16(26)7-3-14/h2-13,22,24H,1H3
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n/an/a 44n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...


J Med Chem 52: 7044-53 (2009)


Article DOI: 10.1021/jm900681h
BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
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=1/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)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50136106
PNG
(4-(6-Benzyl-benzo[1,3]dioxol-5-yl)-benzenesulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc2OCOc2cc1Cc1ccccc1
Show InChI InChI=1S/C20H17NO4S/c21-26(22,23)17-8-6-15(7-9-17)18-12-20-19(24-13-25-20)11-16(18)10-14-4-2-1-3-5-14/h1-9,11-12H,10,13H2,(H2,21,22,23)
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n/an/a 50n/an/an/an/an/an/a



NitroMed, Inc

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of human Prostaglandin G/H synthase 2 (COX-2) in human whole blood


J Med Chem 46: 5484-504 (2003)


Article DOI: 10.1021/jm030268b
BindingDB Entry DOI: 10.7270/Q2FX78WK
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50299823
PNG
((6R,7S)-6,7-bis(4-bromophenyl)-7,11-dihydro-6H-chr...)
Show SMILES Brc1ccc(cc1)[C@H]1Oc2ccccc2C2=Nc3ncnn3[C@H](C12)c1ccc(Br)cc1 |r,t:17|
Show InChI InChI=1S/C24H16Br2N4O/c25-16-9-5-14(6-10-16)22-20-21(29-24-27-13-28-30(22)24)18-3-1-2-4-19(18)31-23(20)15-7-11-17(26)12-8-15/h1-13,20,22-23H/t20?,22-,23+/m0/s1
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n/an/a>50n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ligase activity of human MDM2


J Med Chem 52: 7044-53 (2009)


Article DOI: 10.1021/jm900681h
BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 54n/an/an/an/an/an/a



NitroMed, Inc

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of recombinant human Prostaglandin G/H synthase 2 (COX-2)


J Med Chem 46: 5484-504 (2003)


Article DOI: 10.1021/jm030268b
BindingDB Entry DOI: 10.7270/Q2FX78WK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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=1/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-/s2
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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)


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=1/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)


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=1/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)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50136109
PNG
(5-Cyclohexylidenemethyl-6-(4-methanesulfonyl-pheny...)
Show SMILES [#6]S(=O)(=O)c1ccc(cc1)-c1cc2-[#8]-[#6]-[#8]-c2cc1\[#6]=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C21H22O4S/c1-26(22,23)18-9-7-16(8-10-18)19-13-21-20(24-14-25-21)12-17(19)11-15-5-3-2-4-6-15/h7-13H,2-6,14H2,1H3
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n/an/a 70n/an/an/an/an/an/a



NitroMed, Inc

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of recombinant human Prostaglandin G/H synthase 2 (COX-2) by enzyme Assay


J Med Chem 46: 5484-504 (2003)


Article DOI: 10.1021/jm030268b
BindingDB Entry DOI: 10.7270/Q2FX78WK
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=1/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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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)


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)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(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)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50441081
PNG
(CHEMBL2430289)
Show SMILES N[C@@H](CCCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 |r|
Show InChI InChI=1S/C46H41F3N4O13S/c47-46(48,49)65-31-9-7-29(8-10-31)63-30-11-13-32(14-12-30)67(61,62)44(43(59)52-60)18-21-53(22-19-44)41(57)37(50)3-1-2-20-51-40(56)26-4-15-34-33(23-26)42(58)66-45(34)35-16-5-27(54)24-38(35)64-39-25-28(55)6-17-36(39)45/h4-17,23-25,37,54-55,60H,1-3,18-22,50H2,(H,51,56)(H,52,59)/t37-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Mallinckrodt Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate by fluorescence plate reader analysis


Bioorg Med Chem Lett 23: 5566-70 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.050
BindingDB Entry DOI: 10.7270/Q2ZP47JS
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=1/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)


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=1/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 120n/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)


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=1/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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n/an/a 140n/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)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50136108
PNG
(5-Cycloheptylidenemethyl-6-(4-methanesulfonyl-phen...)
Show SMILES [#6]S(=O)(=O)c1ccc(cc1)-c1cc2-[#8]-[#6]-[#8]-c2cc1\[#6]=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C22H24O4S/c1-27(23,24)19-10-8-17(9-11-19)20-14-22-21(25-15-26-22)13-18(20)12-16-6-4-2-3-5-7-16/h8-14H,2-7,15H2,1H3
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n/an/a 200n/an/an/an/an/an/a



NitroMed, Inc

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of human Prostaglandin G/H synthase 2 (COX-2) in human whole blood


J Med Chem 46: 5484-504 (2003)


Article DOI: 10.1021/jm030268b
BindingDB Entry DOI: 10.7270/Q2FX78WK
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=1/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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n/an/a 202n/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)


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=1/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)


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=1/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)


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=1/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)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM22369
PNG
(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11|
Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 300n/an/an/an/an/an/a



NitroMed, Inc

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of human Prostaglandin G/H synthase 2 (COX-2) in human whole blood


J Med Chem 46: 5484-504 (2003)


Article DOI: 10.1021/jm030268b
BindingDB Entry DOI: 10.7270/Q2FX78WK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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=1/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)


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=1/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-/s2
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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)


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=1/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)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50192665
PNG
(CHEMBL3892579)
Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9|
Show InChI InChI=1/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 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)


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=1/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)


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=1/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)


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=1/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)


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=1/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)


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=1/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)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
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