Found 252 hits of ic50 for UniProtKB: P54289 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50348457
(CHEMBL1801207)Show InChI InChI=1S/C18H21N5O/c1-4-24-15-8-6-14(7-9-15)23-13(3)16-12(2)19-20-18(17(16)21-23)22-10-5-11-22/h6-9H,4-5,10-11H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1 |
Bioorg Med Chem Lett 20: 4683-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246344
(US9434693, 39)Show SMILES COc1ccccc1-n1nc(OC2CC(C)(C)[S@+]([O-])C(C)(C)C2)cc1-c1ccc(Cl)cc1 |r,wD:17.18,(2.27,6.3,;1.5,4.97,;-.04,4.97,;-.81,6.3,;-2.35,6.3,;-3.12,4.97,;-2.35,3.63,;-.81,3.63,;-.04,2.3,;-.95,1.05,;-.04,-.19,;-.44,-1.68,;-1.78,-2.45,;-1.78,-3.99,;-3.11,-4.76,;-3.11,-6.3,;-1.78,-5.53,;-4.44,-3.99,;-5.78,-4.76,;-4.44,-2.45,;-5.78,-1.68,;-5.21,-1.12,;-3.11,-1.68,;1.42,.28,;1.42,1.82,;2.51,2.91,;4,2.51,;5.09,3.6,;4.69,5.09,;5.78,6.18,;3.2,5.49,;2.11,4.4,)| Show InChI InChI=1S/C25H29ClN2O3S/c1-24(2)15-19(16-25(3,4)32(24)29)31-23-14-21(17-10-12-18(26)13-11-17)28(27-23)20-8-6-7-9-22(20)30-5/h6-14,19H,15-16H2,1-5H3/t19?,32- | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246342
(US9434693, 37)Show SMILES COc1ccccc1-n1nc(OC2CC(C)(C)S(=O)(=O)C(C)(C)C2)cc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H29ClN2O4S/c1-24(2)15-19(16-25(3,4)33(24,29)30)32-23-14-21(17-10-12-18(26)13-11-17)28(27-23)20-8-6-7-9-22(20)31-5/h6-14,19H,15-16H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50348456
(CHEMBL1801206)Show InChI InChI=1S/C19H23N5O/c1-4-25-16-9-7-15(8-10-16)24-14(3)17-13(2)20-21-19(18(17)22-24)23-11-5-6-12-23/h7-10H,4-6,11-12H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1 |
Bioorg Med Chem Lett 20: 4683-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50348465
(CHEMBL1801177)Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CC[C@H](N)C1 |r| Show InChI InChI=1S/C19H24N6O/c1-4-26-16-7-5-15(6-8-16)25-13(3)17-12(2)21-22-19(18(17)23-25)24-10-9-14(20)11-24/h5-8,14H,4,9-11,20H2,1-3H3/t14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1 |
Bioorg Med Chem Lett 20: 4683-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/L-type calcium channel subunit beta-3/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM327851
(US9663479, Formula 2 peak 2 (chiral)) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novassay S.A.
US Patent
| Assay Description
This section describes a scintillation proximity assay (SPA) to measure [3H] gabapentin ([3H]GBP) binding to membranes containing α2δ-1 and... |
US Patent US9663479 (2017)
BindingDB Entry DOI: 10.7270/Q2FT8P41 |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246350
(US9434693, 45)Show SMILES COc1ccccc1-n1nc(OC2CC(C)(C)S(=O)(=O)C(C)(C)C2)cc1-c1ccc(cc1)C#N Show InChI InChI=1S/C26H29N3O4S/c1-25(2)15-20(16-26(3,4)34(25,30)31)33-24-14-22(19-12-10-18(17-27)11-13-19)29(28-24)21-8-6-7-9-23(21)32-5/h6-14,20H,15-16H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246343
(US9434693, 38)Show SMILES COc1ccccc1-n1nc(OC2CC(C)(C)[S@+]([O-])C(C)(C)C2)cc1-c1ccc(Cl)cc1 |r,wU:17.18,(2.27,6.3,;1.5,4.97,;-.04,4.97,;-.81,6.3,;-2.35,6.3,;-3.12,4.97,;-2.35,3.63,;-.81,3.63,;-.04,2.3,;-.95,1.05,;-.04,-.19,;-.44,-1.68,;-1.78,-2.45,;-3.11,-1.68,;-4.44,-2.45,;-5.78,-1.68,;-5.21,-1.12,;-4.44,-3.99,;-5.78,-4.76,;-3.11,-4.76,;-3.11,-6.3,;-1.78,-5.53,;-1.78,-3.99,;1.42,.28,;1.42,1.82,;2.51,2.91,;4,2.51,;5.09,3.6,;4.69,5.09,;5.78,6.18,;3.2,5.49,;2.11,4.4,)| Show InChI InChI=1S/C25H29ClN2O3S/c1-24(2)15-19(16-25(3,4)32(24)29)31-23-14-21(17-10-12-18(26)13-11-17)28(27-23)20-8-6-7-9-22(20)30-5/h6-14,19H,15-16H2,1-5H3/t19?,32- | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50348473
(CHEMBL1801185)Show SMILES Cc1n(nc2c(nnc(C)c12)N1CCCC1)-c1ccc(Cl)cc1OC(F)(F)F Show InChI InChI=1S/C18H17ClF3N5O/c1-10-15-11(2)27(13-6-5-12(19)9-14(13)28-18(20,21)22)25-16(15)17(24-23-10)26-7-3-4-8-26/h5-6,9H,3-4,7-8H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1 |
Bioorg Med Chem Lett 20: 4683-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50348474
(CHEMBL1801186)Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CC[C@@H](F)C1 |r| Show InChI InChI=1S/C19H22FN5O/c1-4-26-16-7-5-15(6-8-16)25-13(3)17-12(2)21-22-19(18(17)23-25)24-10-9-14(20)11-24/h5-8,14H,4,9-11H2,1-3H3/t14-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1 |
Bioorg Med Chem Lett 20: 4683-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246338
(US9434693, 33)Show SMILES COc1ccc(cc1)-c1cc(OC2CC(C)(C)S(=O)(=O)C(C)(C)C2)nn1-c1ccccc1OC Show InChI InChI=1S/C26H32N2O5S/c1-25(2)16-20(17-26(3,4)34(25,29)30)33-24-15-22(18-11-13-19(31-5)14-12-18)28(27-24)21-9-7-8-10-23(21)32-6/h7-15,20H,16-17H2,1-6H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246345
(US9434693, 40)Show SMILES COc1ccccc1-n1nc(OCC2C(C)(C)OC2(C)C)cc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H27ClN2O3/c1-23(2)21(24(3,4)30-23)15-29-22-14-19(16-10-12-17(25)13-11-16)27(26-22)18-8-6-7-9-20(18)28-5/h6-14,21H,15H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/L-type calcium channel subunit beta-3/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM327848
(US9663479, Formula 2 (Racemic))Show SMILES CCC1=C[C@@H]2[C@@H](C[C@]2(CN)Cc2nn[nH]n2)C1 |r,t:2| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Novassay S.A.
US Patent
| Assay Description
This section describes a scintillation proximity assay (SPA) to measure [3H] gabapentin ([3H]GBP) binding to membranes containing α2δ-1 and... |
US Patent US9663479 (2017)
BindingDB Entry DOI: 10.7270/Q2FT8P41 |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246339
(US9434693, 34)Show SMILES COc1ccc(cc1)-c1cc(OC2CC(C)(C)[S@+]([O-])C(C)(C)C2)nn1-c1ccccc1OC |r,wU:17.18,(-6.62,5.55,;-5.14,5.95,;-4.05,4.86,;-2.56,5.26,;-1.47,4.17,;-1.87,2.68,;-3.36,2.28,;-4.45,3.37,;-.78,1.59,;-.78,.05,;.68,-.42,;1.08,-1.91,;2.42,-2.68,;2.42,-4.22,;3.75,-4.99,;3.75,-6.53,;2.42,-5.76,;5.08,-4.22,;6.42,-4.99,;5.08,-2.68,;6.62,-2.68,;5.85,-1.35,;3.75,-1.91,;1.59,.82,;.68,2.07,;1.08,3.56,;-.01,4.64,;.39,6.13,;1.88,6.53,;2.97,5.44,;2.57,3.95,;3.66,2.87,;3.26,1.38,)| Show InChI InChI=1S/C26H32N2O4S/c1-25(2)16-20(17-26(3,4)33(25)29)32-24-15-22(18-11-13-19(30-5)14-12-18)28(27-24)21-9-7-8-10-23(21)31-6/h7-15,20H,16-17H2,1-6H3/t20?,33- | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50348466
(CHEMBL1801178)Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C19H23N5O2/c1-4-26-16-7-5-14(6-8-16)24-13(3)17-12(2)20-21-19(18(17)22-24)23-10-9-15(25)11-23/h5-8,15,25H,4,9-11H2,1-3H3/t15-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1 |
Bioorg Med Chem Lett 20: 4683-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50348468
(CHEMBL1801180)Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CC(C1)OC Show InChI InChI=1S/C19H23N5O2/c1-5-26-15-8-6-14(7-9-15)24-13(3)17-12(2)20-21-19(18(17)22-24)23-10-16(11-23)25-4/h6-9,16H,5,10-11H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1 |
Bioorg Med Chem Lett 20: 4683-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246341
(US9434693, 36)Show SMILES COc1ccccc1-n1nc(OC2CC(C)(C)SC(C)(C)C2)cc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H29ClN2O2S/c1-24(2)15-19(16-25(3,4)31-24)30-23-14-21(17-10-12-18(26)13-11-17)28(27-23)20-8-6-7-9-22(20)29-5/h6-14,19H,15-16H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246337
(US9434693, 32)Show SMILES COc1ccc(cc1)-c1cc(OC2CC(C)(C)SC(C)(C)C2)nn1-c1ccccc1OC Show InChI InChI=1S/C26H32N2O3S/c1-25(2)16-20(17-26(3,4)32-25)31-24-15-22(18-11-13-19(29-5)14-12-18)28(27-24)21-9-7-8-10-23(21)30-6/h7-15,20H,16-17H2,1-6H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50348467
(CHEMBL1801179)Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CC[C@H](C1)OC |r| Show InChI InChI=1S/C20H25N5O2/c1-5-27-16-8-6-15(7-9-16)25-14(3)18-13(2)21-22-20(19(18)23-25)24-11-10-17(12-24)26-4/h6-9,17H,5,10-12H2,1-4H3/t17-/m1/s1 | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1 |
Bioorg Med Chem Lett 20: 4683-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50348478
(CHEMBL1801205)Show InChI InChI=1S/C17H21N5O/c1-6-23-14-9-7-13(8-10-14)22-12(3)15-11(2)18-19-17(21(4)5)16(15)20-22/h7-10H,6H2,1-5H3 | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1 |
Bioorg Med Chem Lett 20: 4683-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246333
(US9434693, 28)Show SMILES CC(C)Oc1ccccc1-n1nc(OC2CCN(CC2)S(=O)(=O)C(C)C)cc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H32ClN3O4S/c1-18(2)33-25-8-6-5-7-23(25)30-24(20-9-11-21(27)12-10-20)17-26(28-30)34-22-13-15-29(16-14-22)35(31,32)19(3)4/h5-12,17-19,22H,13-16H2,1-4H3 | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246348
(US9434693, 43)Show SMILES COc1ccccc1-n1nc(OC2CC(C)(C)OC(C)(C)C2)cc1-c1ccc(cc1)C#N Show InChI InChI=1S/C26H29N3O3/c1-25(2)15-20(16-26(3,4)32-25)31-24-14-22(19-12-10-18(17-27)11-13-19)29(28-24)21-8-6-7-9-23(21)30-5/h6-14,20H,15-16H2,1-5H3 | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246340
(US9434693, 35)Show SMILES COc1ccc(cc1)-c1cc(OC2CC(C)(C)[S@+]([O-])C(C)(C)C2)nn1-c1ccccc1OC |r,wU:17.18,(-6.83,4.93,;-5.34,5.33,;-4.25,4.24,;-2.76,4.63,;-1.68,3.55,;-2.07,2.06,;-3.56,1.66,;-4.65,2.75,;-.99,.97,;-.99,-.57,;.48,-1.05,;.88,-2.53,;2.37,-2.93,;2.76,-4.42,;4.25,-4.82,;2.76,-5.22,;3.16,-5.91,;5.34,-3.73,;6.83,-3.33,;4.94,-2.24,;5.34,-.75,;6.43,-1.84,;3.45,-1.84,;1.38,.2,;.48,1.45,;.88,2.93,;-.21,4.02,;.19,5.51,;1.68,5.91,;2.76,4.82,;2.37,3.33,;3.45,2.24,;3.06,.75,)| Show InChI InChI=1S/C26H32N2O4S/c1-25(2)16-20(17-26(3,4)33(25)29)32-24-15-22(18-11-13-19(30-5)14-12-18)28(27-24)21-9-7-8-10-23(21)31-6/h7-15,20H,16-17H2,1-6H3/t20?,33- | PDB
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| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246329
(US9434693, 23)Show SMILES COc1ccccc1-n1nc(OC2CC(C)(C)OC(C)(C)C2)cc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H29ClN2O3/c1-24(2)15-19(16-25(3,4)31-24)30-23-14-21(17-10-12-18(26)13-11-17)28(27-23)20-8-6-7-9-22(20)29-5/h6-14,19H,15-16H2,1-5H3 | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50348454
(CHEMBL1801191)Show SMILES COC1CN(C1)c1nnc(C)c2c(C)n(nc12)-c1ccc(Cl)cc1OC(F)(F)F Show InChI InChI=1S/C18H17ClF3N5O2/c1-9-15-10(2)27(13-5-4-11(19)6-14(13)29-18(20,21)22)25-16(15)17(24-23-9)26-7-12(8-26)28-3/h4-6,12H,7-8H2,1-3H3 | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1 |
Bioorg Med Chem Lett 20: 4683-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246335
(US9434693, 30)Show SMILES COc1ccccc1-n1nc(OC2CN(C2)S(=O)(=O)c2c(C)noc2C)cc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H23ClN4O5S/c1-15-24(16(2)34-27-15)35(30,31)28-13-19(14-28)33-23-12-21(17-8-10-18(25)11-9-17)29(26-23)20-6-4-5-7-22(20)32-3/h4-12,19H,13-14H2,1-3H3 | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50348455
(CHEMBL1801192)Show SMILES CCOc1ccc(c(F)c1)-n1nc2c(nnc(C)c2c1C)N1CC(C1)OC Show InChI InChI=1S/C19H22FN5O2/c1-5-27-13-6-7-16(15(20)8-13)25-12(3)17-11(2)21-22-19(18(17)23-25)24-9-14(10-24)26-4/h6-8,14H,5,9-10H2,1-4H3 | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1 |
Bioorg Med Chem Lett 20: 4683-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246321
(US9434693, 15)Show SMILES COc1ccccc1-n1nc(OC2CCN(CC2)S(=O)(=O)C2CC2)cc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H26ClN3O4S/c1-31-23-5-3-2-4-21(23)28-22(17-6-8-18(25)9-7-17)16-24(26-28)32-19-12-14-27(15-13-19)33(29,30)20-10-11-20/h2-9,16,19-20H,10-15H2,1H3 | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50143361
((S)-N*4*-Acridin-9-yl-N*1*,N*1*-diethyl-heptane-1,...)Show InChI InChI=1S/C24H33N3/c1-4-12-19(13-11-18-27(5-2)6-3)25-24-20-14-7-9-16-22(20)26-23-17-10-8-15-21(23)24/h7-10,14-17,19H,4-6,11-13,18H2,1-3H3,(H,25,26)/t19-/m0/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards alpha2-delta subunit of a voltage gated calcium channel using [3H]-gabapentin in human brain membrane (A710 membrane) |
Bioorg Med Chem Lett 14: 1913-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.087
BindingDB Entry DOI: 10.7270/Q2HQ3ZBQ |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246336
(US9434693, 31)Show SMILES COc1ccc(cc1)-c1cc(OC2CC(C)(C)OC(C)(C)C2)nn1-c1ccccc1OC Show InChI InChI=1S/C26H32N2O4/c1-25(2)16-20(17-26(3,4)32-25)31-24-15-22(18-11-13-19(29-5)14-12-18)28(27-24)21-9-7-8-10-23(21)30-6/h7-15,20H,16-17H2,1-6H3 | PDB
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| US Patent
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246346
(US9434693, 41)Show SMILES COc1ccccc1-n1nc(OC2CC(C)(C)C(=O)C(C)(C)C2)cc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H29ClN2O3/c1-25(2)15-19(16-26(3,4)24(25)30)32-23-14-21(17-10-12-18(27)13-11-17)29(28-23)20-8-6-7-9-22(20)31-5/h6-14,19H,15-16H2,1-5H3 | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246319
(US9434693, 13)Show SMILES COc1ccccc1-n1nc(O[C@@H]2CC[C@@H](CC2)NC(=O)C(F)(F)F)cc1-c1ccc(Cl)cc1 |r,wU:12.12,15.19,(4.61,5.19,;3.84,3.85,;2.3,3.85,;1.53,5.19,;-.01,5.19,;-.78,3.85,;-.01,2.52,;1.53,2.52,;2.3,1.18,;1.39,-.06,;2.3,-1.31,;1.9,-2.79,;.41,-3.19,;-.68,-2.1,;-2.17,-2.5,;-2.56,-3.99,;-1.48,-5.08,;.01,-4.68,;-4.05,-4.39,;-5.14,-3.3,;-4.74,-1.81,;-6.63,-3.7,;-8.12,-4.1,;-7.03,-2.21,;-6.23,-5.19,;3.76,-.83,;3.76,.71,;4.85,1.8,;6.34,1.4,;7.43,2.49,;7.03,3.98,;8.12,5.06,;5.54,4.37,;4.45,3.29,)| Show InChI InChI=1S/C24H23ClF3N3O3/c1-33-21-5-3-2-4-19(21)31-20(15-6-8-16(25)9-7-15)14-22(30-31)34-18-12-10-17(11-13-18)29-23(32)24(26,27)28/h2-9,14,17-18H,10-13H2,1H3,(H,29,32)/t17-,18+ | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246349
(US9434693, 44)Show SMILES COc1ccccc1-n1nc(OC2CC(C)(C)SC(C)(C)C2)cc1-c1ccc(cc1)C#N Show InChI InChI=1S/C26H29N3O2S/c1-25(2)15-20(16-26(3,4)32-25)31-24-14-22(19-12-10-18(17-27)11-13-19)29(28-24)21-8-6-7-9-23(21)30-5/h6-14,20H,15-16H2,1-5H3 | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246310
(US9434693, 4)Show SMILES COc1ccccc1-n1nc(OC2CCN(CC2)C(=O)N(C)C)cc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H27ClN4O3/c1-27(2)24(30)28-14-12-19(13-15-28)32-23-16-21(17-8-10-18(25)11-9-17)29(26-23)20-6-4-5-7-22(20)31-3/h4-11,16,19H,12-15H2,1-3H3 | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246351
(US9434693, 46)Show SMILES COc1ccccc1-n1nc(OC2CC(C)(C)[S@+]([O-])C(C)(C)C2)cc1-c1ccc(cc1)C#N |r,wU:17.18,(3.06,1.12,;3.46,2.61,;2.37,3.7,;2.77,5.19,;1.68,6.28,;.19,5.88,;-.21,4.39,;.88,3.3,;.48,1.82,;1.39,.57,;.48,-.68,;.88,-2.16,;2.22,-2.93,;2.22,-4.47,;3.55,-5.24,;3.55,-6.78,;2.22,-6.01,;4.88,-4.47,;6.22,-5.24,;4.88,-2.93,;6.42,-2.93,;5.65,-1.6,;3.55,-2.16,;-.98,-.2,;-.98,1.34,;-2.07,2.43,;-1.67,3.92,;-2.76,5,;-4.29,4.65,;-4.65,3.12,;-3.56,2.03,;-5.37,5.73,;-6.46,6.82,)| Show InChI InChI=1S/C26H29N3O3S/c1-25(2)15-20(16-26(3,4)33(25)30)32-24-14-22(19-12-10-18(17-27)11-13-19)29(28-24)21-8-6-7-9-23(21)31-5/h6-14,20H,15-16H2,1-5H3/t20?,33- | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246334
(US9434693, 29)Show SMILES CON(C)C(=O)N1CC(C1)Oc1cc(-c2ccc(Cl)cc2)n(n1)-c1ccccc1OC Show InChI InChI=1S/C22H23ClN4O4/c1-25(30-3)22(28)26-13-17(14-26)31-21-12-19(15-8-10-16(23)11-9-15)27(24-21)18-6-4-5-7-20(18)29-2/h4-12,17H,13-14H2,1-3H3 | PDB
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UniChem
| US Patent
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50145324
((2-m-Tolyl-ethyl)-[6-(3-trifluoromethyl-[1,2,4]tri...)Show SMILES Cc1cccc(CCNCc2cccc(COc3nn4c(nnc4c4ccccc34)C(F)(F)F)n2)c1 Show InChI InChI=1S/C26H23F3N6O/c1-17-6-4-7-18(14-17)12-13-30-15-19-8-5-9-20(31-19)16-36-24-22-11-3-2-10-21(22)23-32-33-25(26(27,28)29)35(23)34-24/h2-11,14,30H,12-13,15-16H2,1H3 | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against alpha2 delta-1 subunit of voltage-gated calcium channel in human. |
Bioorg Med Chem Lett 14: 2463-7 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.008
BindingDB Entry DOI: 10.7270/Q23X876G |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246312
(US9434693, 6)Show InChI InChI=1S/C21H21ClN2O3/c1-25-20-5-3-2-4-18(20)24-19(15-6-8-16(22)9-7-15)14-21(23-24)27-17-10-12-26-13-11-17/h2-9,14,17H,10-13H2,1H3 | PDB
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UniChem
| US Patent
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246311
(US9434693, 5)Show SMILES COc1ccccc1-n1nc(OC2CCN(CC2)S(C)(=O)=O)cc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H24ClN3O4S/c1-29-21-6-4-3-5-19(21)26-20(16-7-9-17(23)10-8-16)15-22(24-26)30-18-11-13-25(14-12-18)31(2,27)28/h3-10,15,18H,11-14H2,1-2H3 | PDB
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UniChem
| US Patent
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50178456
(CHEMBL202120 | N-(3-fluorobenzyl)-6-(4-ethoxypheny...)Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3cccc(F)c3)c2c1C Show InChI InChI=1S/C24H25FN4O/c1-5-30-21-11-9-20(10-12-21)29-16(3)22-15(2)27-28-24(23(22)17(29)4)26-14-18-7-6-8-19(25)13-18/h6-13H,5,14H2,1-4H3,(H,26,28) | PDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel |
Bioorg Med Chem Lett 16: 746-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50143364
(CHEMBL57657 | N*4*-Acridin-9-yl-N*1*,N*1*-diethyl-...)Show InChI InChI=1S/C24H33N3/c1-4-12-19(13-11-18-27(5-2)6-3)25-24-20-14-7-9-16-22(20)26-23-17-10-8-15-21(23)24/h7-10,14-17,19H,4-6,11-13,18H2,1-3H3,(H,25,26) | PDB
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| Article
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards alpha2-delta subunit of a voltage gated calcium channel using [3H]-gabapentin in human brain membrane (A710 membrane) |
Bioorg Med Chem Lett 14: 1913-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.087
BindingDB Entry DOI: 10.7270/Q2HQ3ZBQ |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/L-type calcium channel subunit beta-3/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM327849
(US9663479, Formula 3 (Racemic))Show SMILES CCC1=C[C@@H]2[C@@H](C[C@]2(CN)Cc2nc(=O)o[nH]2)C1 |r,t:2| | PDB
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| US Patent
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Novassay S.A.
US Patent
| Assay Description
This section describes a scintillation proximity assay (SPA) to measure [3H] gabapentin ([3H]GBP) binding to membranes containing α2δ-1 and... |
US Patent US9663479 (2017)
BindingDB Entry DOI: 10.7270/Q2FT8P41 |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50348470
(CHEMBL1801182)Show SMILES Cc1n(nc2c(nnc(C)c12)N1CCCC1)-c1ccc(OCC(F)(F)F)cc1 Show InChI InChI=1S/C19H20F3N5O/c1-12-16-13(2)27(14-5-7-15(8-6-14)28-11-19(20,21)22)25-17(16)18(24-23-12)26-9-3-4-10-26/h5-8H,3-4,9-11H2,1-2H3 | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1 |
Bioorg Med Chem Lett 20: 4683-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246326
(US9434693, 20)Show SMILES CC(C)Oc1ccccc1-n1nc(OC2CCN(CC2)S(C)(=O)=O)cc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H28ClN3O4S/c1-17(2)31-23-7-5-4-6-21(23)28-22(18-8-10-19(25)11-9-18)16-24(26-28)32-20-12-14-27(15-13-20)33(3,29)30/h4-11,16-17,20H,12-15H2,1-3H3 | PDB
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| US Patent
| n/a | n/a | 21.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50348460
(CHEMBL1801210)Show InChI InChI=1S/C21H27N5O/c1-4-27-18-11-9-17(10-12-18)26-16(3)19-15(2)22-23-21(20(19)24-26)25-13-7-5-6-8-14-25/h9-12H,4-8,13-14H2,1-3H3 | PDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1 |
Bioorg Med Chem Lett 20: 4683-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50348458
(CHEMBL1801208)Show InChI InChI=1S/C16H19N5O/c1-5-22-13-8-6-12(7-9-13)21-11(3)14-10(2)18-19-16(17-4)15(14)20-21/h6-9H,5H2,1-4H3,(H,17,19) | PDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1 |
Bioorg Med Chem Lett 20: 4683-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/L-type calcium channel subunit beta-3/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM327847
(US9663479, Pregabalin)Show InChI InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11) | PDB
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UniChem
| US Patent
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Novassay S.A.
US Patent
| Assay Description
This section describes a scintillation proximity assay (SPA) to measure [3H] gabapentin ([3H]GBP) binding to membranes containing α2δ-1 and... |
US Patent US9663479 (2017)
BindingDB Entry DOI: 10.7270/Q2FT8P41 |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246320
(US9434693, 14)Show SMILES COc1ccccc1-n1nc(OC2CCN(CC2)S(=O)(=O)C(F)(F)F)cc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H21ClF3N3O4S/c1-32-20-5-3-2-4-18(20)29-19(15-6-8-16(23)9-7-15)14-21(27-29)33-17-10-12-28(13-11-17)34(30,31)22(24,25)26/h2-9,14,17H,10-13H2,1H3 | PDB
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| US Patent
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50348475
(CHEMBL1801187)Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCC(F)(F)C1 Show InChI InChI=1S/C19H21F2N5O/c1-4-27-15-7-5-14(6-8-15)26-13(3)16-12(2)22-23-18(17(16)24-26)25-10-9-19(20,21)11-25/h5-8H,4,9-11H2,1-3H3 | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1 |
Bioorg Med Chem Lett 20: 4683-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50348472
(CHEMBL1801184)Show SMILES Cc1n(nc2c(nnc(C)c12)N1CCCC1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C17H17Cl2N5/c1-10-15-11(2)24(14-6-5-12(18)9-13(14)19)22-16(15)17(21-20-10)23-7-3-4-8-23/h5-6,9H,3-4,7-8H2,1-2H3 | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1 |
Bioorg Med Chem Lett 20: 4683-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D |
More data for this
Ligand-Target Pair | |
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