Found 122 hits with Last Name = 'mosbacher' and Initial = 'j' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Gamma-aminobutyric acid type B receptor subunit 1
(Rattus norvegicus (Rat)) | BDBM86283
(CAS_345-78-8 | CAS_39069-52-8 | GS 39783 | N,N'...)Show SMILES CSc1nc(NC2CCCC2)c(c(NC2CCCC2)n1)[N+]([O-])=O Show InChI InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19) | PDB
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| PDB
Article
PubMed
| 2.75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 307: 322-30 (2003)
Article DOI: 10.1124/jpet.103.053074
BindingDB Entry DOI: 10.7270/Q2542M50 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Gamma-aminobutyric acid type B receptor subunit 1
(Rattus norvegicus (Rat)) | BDBM86283
(CAS_345-78-8 | CAS_39069-52-8 | GS 39783 | N,N'...)Show SMILES CSc1nc(NC2CCCC2)c(c(NC2CCCC2)n1)[N+]([O-])=O Show InChI InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19) | PDB
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| 32.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 307: 322-30 (2003)
Article DOI: 10.1124/jpet.103.053074
BindingDB Entry DOI: 10.7270/Q2542M50 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50337263
(3-(2-chlorobenzyloxy)-2-(2-fluorophenyl)-2H-pyrazo...)Show SMILES Fc1ccccc1-n1nc2c(cnc3ccccc23)c1OCc1ccccc1Cl Show InChI InChI=1S/C23H15ClFN3O/c24-18-9-3-1-7-15(18)14-29-23-17-13-26-20-11-5-2-8-16(20)22(17)27-28(23)21-12-6-4-10-19(21)25/h1-13H,14H2 | PDB
Reactome pathway
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| CHEMBL
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells |
Bioorg Med Chem Lett 21: 1523-6 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM84957
(CGS 9896 | CHEMBL20042)Show InChI InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,19H | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells |
Bioorg Med Chem Lett 21: 1523-6 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1G
(Homo sapiens (Human)) | BDBM50192668
(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 | PDB
NCI pathway
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| Article
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| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM50337263
(3-(2-chlorobenzyloxy)-2-(2-fluorophenyl)-2H-pyrazo...)Show SMILES Fc1ccccc1-n1nc2c(cnc3ccccc23)c1OCc1ccccc1Cl Show InChI InChI=1S/C23H15ClFN3O/c24-18-9-3-1-7-15(18)14-29-23-17-13-26-20-11-5-2-8-16(20)22(17)27-28(23)21-12-6-4-10-19(21)25/h1-13H,14H2 | PDB
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| CHEMBL
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-2 expressed in CHO cells |
Bioorg Med Chem Lett 21: 1523-6 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM84957
(CGS 9896 | CHEMBL20042)Show InChI InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,19H | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-2 expressed in CHO cells |
Bioorg Med Chem Lett 21: 1523-6 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50192668
(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 | PDB
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| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
UniProtKB/SwissProt
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| CHEMBL
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UniChem
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| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
UniProtKB/SwissProt
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| CHEMBL
MMDB
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/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
(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
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50192665
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50192688
(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 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/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-1G
(Homo sapiens (Human)) | BDBM50192689
(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) | PDB
NCI pathway
Reactome pathway
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| PDB
Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50192670
(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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50337265
(3-(2-chlorobenzyloxy)-2-(4-chlorophenyl)-6,7,8,9-t...)Show SMILES Clc1ccc(cc1)-n1nc2c3CCCCc3ncc2c1OCc1ccccc1Cl Show InChI InChI=1S/C23H19Cl2N3O/c24-16-9-11-17(12-10-16)28-23(29-14-15-5-1-3-7-20(15)25)19-13-26-21-8-4-2-6-18(21)22(19)27-28/h1,3,5,7,9-13H,2,4,6,8,14H2 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells |
Bioorg Med Chem Lett 21: 1523-6 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50192736
(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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50337271
(2-(4-chlorophenyl)-3-(4-fluorobenzyloxy)-6,7,8,9-t...)Show SMILES Fc1ccc(COc2n(nc3c4CCCCc4ncc23)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C23H19ClFN3O/c24-16-7-11-18(12-8-16)28-23(29-14-15-5-9-17(25)10-6-15)20-13-26-21-4-2-1-3-19(21)22(20)27-28/h5-13H,1-4,14H2 | PDB
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells |
Bioorg Med Chem Lett 21: 1523-6 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50337264
(2-(benzo[d][1,3]dioxol-5-yl)-3-(2-chlorobenzyloxy)...)Show SMILES Clc1ccccc1COc1n(nc2c1cnc1ccccc21)-c1ccc2OCOc2c1 Show InChI InChI=1S/C24H16ClN3O3/c25-19-7-3-1-5-15(19)13-29-24-18-12-26-20-8-4-2-6-17(20)23(18)27-28(24)16-9-10-21-22(11-16)31-14-30-21/h1-12H,13-14H2 | PDB
Reactome pathway
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Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells |
Bioorg Med Chem Lett 21: 1523-6 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50192692
(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 | PDB
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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 | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM50337271
(2-(4-chlorophenyl)-3-(4-fluorobenzyloxy)-6,7,8,9-t...)Show SMILES Fc1ccc(COc2n(nc3c4CCCCc4ncc23)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C23H19ClFN3O/c24-16-7-11-18(12-8-16)28-23(29-14-15-5-9-17(25)10-6-15)20-13-26-21-4-2-1-3-19(21)22(20)27-28/h5-13H,1-4,14H2 | PDB
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Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-2 expressed in CHO cells |
Bioorg Med Chem Lett 21: 1523-6 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50192662
(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) | PDB
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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 | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50337274
(3-(2-chlorobenzyloxy)-2-(4-chlorophenyl)-2H-pyrazo...)Show SMILES Clc1ccc(cc1)-n1nc2c(cnc3ccccc23)c1OCc1ccccc1Cl Show InChI InChI=1S/C23H15Cl2N3O/c24-16-9-11-17(12-10-16)28-23(29-14-15-5-1-3-7-20(15)25)19-13-26-21-8-4-2-6-18(21)22(19)27-28/h1-13H,14H2 | PDB
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| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells |
Bioorg Med Chem Lett 21: 1523-6 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50337270
(2-(4-chlorophenyl)-3-(2-fluorobenzyloxy)-6,7,8,9-t...)Show SMILES Fc1ccccc1COc1n(nc2c3CCCCc3ncc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H19ClFN3O/c24-16-9-11-17(12-10-16)28-23(29-14-15-5-1-3-7-20(15)25)19-13-26-21-8-4-2-6-18(21)22(19)27-28/h1,3,5,7,9-13H,2,4,6,8,14H2 | PDB
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| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells |
Bioorg Med Chem Lett 21: 1523-6 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50337268
(3-(2-chlorobenzyloxy)-2-(4-chlorophenyl)-8,8-dimet...)Show SMILES CC1(C)CCc2ncc3c(OCc4ccccc4Cl)n(nc3c2C1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H23Cl2N3O/c1-25(2)12-11-22-19(13-25)23-20(14-28-22)24(31-15-16-5-3-4-6-21(16)27)30(29-23)18-9-7-17(26)8-10-18/h3-10,14H,11-13,15H2,1-2H3 | PDB
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| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells |
Bioorg Med Chem Lett 21: 1523-6 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50192657
(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) | PDB
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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)) | BDBM50192734
(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) | PDB
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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)) | BDBM50192689
(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) | PDB
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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 | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50337272
(2-(4-chlorophenyl)-3-(cyclopropylmethoxy)-2H-pyraz...)Show InChI InChI=1S/C20H16ClN3O/c21-14-7-9-15(10-8-14)24-20(25-12-13-5-6-13)17-11-22-18-4-2-1-3-16(18)19(17)23-24/h1-4,7-11,13H,5-6,12H2 | PDB
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| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells |
Bioorg Med Chem Lett 21: 1523-6 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1I
(Homo sapiens (Human)) | BDBM50192689
(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) | PDB
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| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50337275
(2-(4-chlorophenyl)-3-(cyclopropylmethoxy)-6,7,8,9-...)Show InChI InChI=1S/C20H20ClN3O/c21-14-7-9-15(10-8-14)24-20(25-12-13-5-6-13)17-11-22-18-4-2-1-3-16(18)19(17)23-24/h7-11,13H,1-6,12H2 | PDB
Reactome pathway
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| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells |
Bioorg Med Chem Lett 21: 1523-6 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50192698
(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) | PDB
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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)) | BDBM50192655
(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) | PDB
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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 | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50337277
(2-(4-chlorophenyl)-3-(cyclopropylmethoxy)-8-(1H-im...)Show SMILES Clc1ccc(cc1)-n1nc2c(cnc3ccc(cc23)-n2ccnc2)c1OCC1CC1 Show InChI InChI=1S/C23H18ClN5O/c24-16-3-5-17(6-4-16)29-23(30-13-15-1-2-15)20-12-26-21-8-7-18(28-10-9-25-14-28)11-19(21)22(20)27-29/h3-12,14-15H,1-2,13H2 | PDB
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| n/a | n/a | 134 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells |
Bioorg Med Chem Lett 21: 1523-6 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50192693
(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) | PDB
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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 | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM50337270
(2-(4-chlorophenyl)-3-(2-fluorobenzyloxy)-6,7,8,9-t...)Show SMILES Fc1ccccc1COc1n(nc2c3CCCCc3ncc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H19ClFN3O/c24-16-9-11-17(12-10-16)28-23(29-14-15-5-1-3-7-20(15)25)19-13-26-21-8-4-2-6-18(21)22(19)27-28/h1,3,5,7,9-13H,2,4,6,8,14H2 | PDB
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Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-2 expressed in CHO cells |
Bioorg Med Chem Lett 21: 1523-6 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM50337264
(2-(benzo[d][1,3]dioxol-5-yl)-3-(2-chlorobenzyloxy)...)Show SMILES Clc1ccccc1COc1n(nc2c1cnc1ccccc21)-c1ccc2OCOc2c1 Show InChI InChI=1S/C24H16ClN3O3/c25-19-7-3-1-5-15(19)13-29-24-18-12-26-20-8-4-2-6-17(20)23(18)27-28(24)16-9-10-21-22(11-16)31-14-30-21/h1-12H,13-14H2 | PDB
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| n/a | n/a | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-2 expressed in CHO cells |
Bioorg Med Chem Lett 21: 1523-6 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50337269
(3-(4-chlorobenzyloxy)-2-(4-chlorophenyl)-6,7,8,9-t...)Show SMILES Clc1ccc(COc2n(nc3c4CCCCc4ncc23)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C23H19Cl2N3O/c24-16-7-5-15(6-8-16)14-29-23-20-13-26-21-4-2-1-3-19(21)22(20)27-28(23)18-11-9-17(25)10-12-18/h5-13H,1-4,14H2 | PDB
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Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells |
Bioorg Med Chem Lett 21: 1523-6 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM50337269
(3-(4-chlorobenzyloxy)-2-(4-chlorophenyl)-6,7,8,9-t...)Show SMILES Clc1ccc(COc2n(nc3c4CCCCc4ncc23)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C23H19Cl2N3O/c24-16-7-5-15(6-8-16)14-29-23-20-13-26-21-4-2-1-3-19(21)22(20)27-28(23)18-11-9-17(25)10-12-18/h5-13H,1-4,14H2 | PDB
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Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-2 expressed in CHO cells |
Bioorg Med Chem Lett 21: 1523-6 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM50337275
(2-(4-chlorophenyl)-3-(cyclopropylmethoxy)-6,7,8,9-...)Show InChI InChI=1S/C20H20ClN3O/c21-14-7-9-15(10-8-14)24-20(25-12-13-5-6-13)17-11-22-18-4-2-1-3-16(18)19(17)23-24/h7-11,13H,1-6,12H2 | PDB
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Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-2 expressed in CHO cells |
Bioorg Med Chem Lett 21: 1523-6 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50192694
(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) | PDB
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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 | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM50337268
(3-(2-chlorobenzyloxy)-2-(4-chlorophenyl)-8,8-dimet...)Show SMILES CC1(C)CCc2ncc3c(OCc4ccccc4Cl)n(nc3c2C1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H23Cl2N3O/c1-25(2)12-11-22-19(13-25)23-20(14-28-22)24(31-15-16-5-3-4-6-21(16)27)30(29-23)18-9-7-17(26)8-10-18/h3-10,14H,11-13,15H2,1-2H3 | PDB
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| n/a | n/a | 213 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-2 expressed in CHO cells |
Bioorg Med Chem Lett 21: 1523-6 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50192665
(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 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
(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) | PDB
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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 | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50337266
(3-(2-chlorobenzyloxy)-2-(4-chlorophenyl)-2,6,7,8,9...)Show SMILES Clc1ccc(cc1)-n1nc2c3CCCCCc3ncc2c1OCc1ccccc1Cl Show InChI InChI=1S/C24H21Cl2N3O/c25-17-10-12-18(13-11-17)29-24(30-15-16-6-4-5-8-21(16)26)20-14-27-22-9-3-1-2-7-19(22)23(20)28-29/h4-6,8,10-14H,1-3,7,9,15H2 | PDB
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| n/a | n/a | 242 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells |
Bioorg Med Chem Lett 21: 1523-6 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM50337274
(3-(2-chlorobenzyloxy)-2-(4-chlorophenyl)-2H-pyrazo...)Show SMILES Clc1ccc(cc1)-n1nc2c(cnc3ccccc23)c1OCc1ccccc1Cl Show InChI InChI=1S/C23H15Cl2N3O/c24-16-9-11-17(12-10-16)28-23(29-14-15-5-1-3-7-20(15)25)19-13-26-21-8-4-2-6-18(21)22(19)27-28/h1-13H,14H2 | PDB
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| n/a | n/a | 265 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-2 expressed in CHO cells |
Bioorg Med Chem Lett 21: 1523-6 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM50337265
(3-(2-chlorobenzyloxy)-2-(4-chlorophenyl)-6,7,8,9-t...)Show SMILES Clc1ccc(cc1)-n1nc2c3CCCCc3ncc2c1OCc1ccccc1Cl Show InChI InChI=1S/C23H19Cl2N3O/c24-16-9-11-17(12-10-16)28-23(29-14-15-5-1-3-7-20(15)25)19-13-26-21-8-4-2-6-18(21)22(19)27-28/h1,3,5,7,9-13H,2,4,6,8,14H2 | PDB
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Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-2 expressed in CHO cells |
Bioorg Med Chem Lett 21: 1523-6 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50192700
(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) | PDB
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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 | |
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