Found 163 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 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 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 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 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)) | 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | 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)) | 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | 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)) | 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | 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)) | 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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antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | 9 | 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 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| 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 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
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| Article
PubMed
| 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 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 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
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UniChem
Similars
| Article
PubMed
| 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 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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| Article
PubMed
| 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
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UniChem
Similars
| Article
PubMed
| 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)) | 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
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 | |
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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50080153
((1-Aminomethyl-cyclohexyl)-acetic acid | 2-(1-(ami...)Show InChI InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12) | PDB
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| n/a | n/a | 27 | 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 | 
3D Structure (crystal) |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50145330
(CHEMBL310121 | [2-(3-Bromo-phenyl)-ethyl]-{(S)-1-[...)Show SMILES C[C@H](NCCc1cccc(Br)c1)c1cccc(COc2nn3c(nnc3c3ccccc23)C(F)(F)F)n1 Show InChI InChI=1S/C26H22BrF3N6O/c1-16(31-13-12-17-6-4-7-18(27)14-17)22-11-5-8-19(32-22)15-37-24-21-10-3-2-9-20(21)23-33-34-25(26(28,29)30)36(23)35-24/h2-11,14,16,31H,12-13,15H2,1H3/t16-/m0/s1 | PDB
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| n/a | n/a | 28 | 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 calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50145307
((2-m-Tolyl-ethyl)-{1-[6-(3-trifluoromethyl-[1,2,4]...)Show SMILES CC(NCCc1cccc(C)c1)c1cccc(COc2nn3c(nnc3c3ccccc23)C(F)(F)F)n1 Show InChI InChI=1S/C27H25F3N6O/c1-17-7-5-8-19(15-17)13-14-31-18(2)23-12-6-9-20(32-23)16-37-25-22-11-4-3-10-21(22)24-33-34-26(27(28,29)30)36(24)35-25/h3-12,15,18,31H,13-14,16H2,1-2H3 | PDB
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| n/a | n/a | 29 | 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 calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50366906
(CHEMBL1169381)Show SMILES C[C@H](NCCc1ccccc1)c1cccc(COc2nn3c(nnc3c3ccccc23)C(F)(F)F)n1 |r| Show InChI InChI=1S/C26H23F3N6O/c1-17(30-15-14-18-8-3-2-4-9-18)22-13-7-10-19(31-22)16-36-24-21-12-6-5-11-20(21)23-32-33-25(26(27,28)29)35(23)34-24/h2-13,17,30H,14-16H2,1H3/t17-/m0/s1 | PDB
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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 calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50145305
(CHEMBL446627 | Phenethyl-{(S)-1-[6-(3-trifluoromet...)Show SMILES C[C@H](NCCc1ccccc1)c1cccc(COc2nn3c(nnc3c3ccccc23)C(F)(F)F)n1 Show InChI InChI=1S/C26H23F3N6O/c1-17(30-15-14-18-8-3-2-4-9-18)22-13-7-10-19(31-22)16-36-24-21-12-6-5-11-20(21)23-32-33-25(26(27,28)29)35(23)34-24/h2-13,17,30H,14-16H2,1H3/t17-/m0/s1 | PDB
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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 calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50178458
(6-(4-ethoxyphenyl)-N-(1H-indol-5-yl)-4,5,7-trimeth...)Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(Nc3ccc4[nH]ccc4c3)c2c1C Show InChI InChI=1S/C25H25N5O/c1-5-31-21-9-7-20(8-10-21)30-16(3)23-15(2)28-29-25(24(23)17(30)4)27-19-6-11-22-18(14-19)12-13-26-22/h6-14,26H,5H2,1-4H3,(H,27,29) | PDB
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| n/a | n/a | 30 | 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)) | BDBM50348471
(CHEMBL1801183)Show SMILES CC(C)Oc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCCC1 Show InChI InChI=1S/C20H25N5O/c1-13(2)26-17-9-7-16(8-10-17)25-15(4)18-14(3)21-22-20(19(18)23-25)24-11-5-6-12-24/h7-10,13H,5-6,11-12H2,1-4H3 | 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 calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50348453
(CHEMBL1801188)Show SMILES Cc1n(nc2c(nnc(C)c12)N1CC[C@@H](F)C1)-c1ccc(OCC(F)(F)F)cc1 |r| Show InChI InChI=1S/C19H19F4N5O/c1-11-16-12(2)28(14-3-5-15(6-4-14)29-10-19(21,22)23)26-17(16)18(25-24-11)27-8-7-13(20)9-27/h3-6,13H,7-10H2,1-2H3/t13-/m1/s1 | 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)) | BDBM50348464
(CHEMBL1801176)Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCC(O)CC1 Show InChI InChI=1S/C20H25N5O2/c1-4-27-17-7-5-15(6-8-17)25-14(3)18-13(2)21-22-20(19(18)23-25)24-11-9-16(26)10-12-24/h5-8,16,26H,4,9-12H2,1-3H3 | 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)) | BDBM50178478
(6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-((5,6,7,8-tet...)Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3ccc4CCCNc4n3)c2c1C Show InChI InChI=1S/C26H30N6O/c1-5-33-22-12-10-21(11-13-22)32-17(3)23-16(2)30-31-26(24(23)18(32)4)28-15-20-9-8-19-7-6-14-27-25(19)29-20/h8-13H,5-7,14-15H2,1-4H3,(H,27,29)(H,28,31) | PDB
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| n/a | n/a | 32 | 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)) | BDBM50178454
(6-(4-ethoxyphenyl)-N-(1H-indazol-5-yl)-4,5,7-trime...)Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(Nc3ccc4[nH]ncc4c3)c2c1C Show InChI InChI=1S/C24H24N6O/c1-5-31-20-9-7-19(8-10-20)30-15(3)22-14(2)27-29-24(23(22)16(30)4)26-18-6-11-21-17(12-18)13-25-28-21/h6-13H,5H2,1-4H3,(H,25,28)(H,26,29) | PDB
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| n/a | n/a | 36 | 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)) | BDBM50145329
(CHEMBL79184 | Phenethyl-{1-[6-(3-trifluoromethyl-[...)Show SMILES CC(NCCc1ccccc1)c1cccc(COc2nn3c(nnc3c3ccccc23)C(F)(F)F)n1 Show InChI InChI=1S/C26H23F3N6O/c1-17(30-15-14-18-8-3-2-4-9-18)22-13-7-10-19(31-22)16-36-24-21-12-6-5-11-20(21)23-32-33-25(26(27,28)29)35(23)34-24/h2-13,17,30H,14-16H2,1H3 | PDB
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| n/a | n/a | 36 | 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 calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50178480
(CHEMBL201824 | N-(3-chlorobenzyl)-6-(4-ethoxypheny...)Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3cccc(Cl)c3)c2c1C Show InChI InChI=1S/C24H25ClN4O/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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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)) | BDBM50143345
(CHEMBL57487 | N*4*-Acridin-9-yl-N*1*,N*1*-diethyl-...)Show InChI InChI=1S/C23H31N3/c1-4-18(12-11-17-26(5-2)6-3)24-23-19-13-7-9-15-21(19)25-22-16-10-8-14-20(22)23/h7-10,13-16,18H,4-6,11-12,17H2,1-3H3,(H,24,25) | 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 calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50140659
(CHEMBL287371 | [6-(4-Ethoxy-phenyl)-4,5,7-trimethy...)Show InChI InChI=1S/C18H22N4O/c1-6-23-15-9-7-14(8-10-15)22-12(3)16-11(2)20-21-18(19-5)17(16)13(22)4/h7-10H,6H2,1-5H3,(H,19,21) | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin |
Bioorg Med Chem Lett 14: 1295-8 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50348459
(CHEMBL1801209)Show InChI InChI=1S/C20H25N5O/c1-4-26-17-10-8-16(9-11-17)25-15(3)18-14(2)21-22-20(19(18)23-25)24-12-6-5-7-13-24/h8-11H,4-7,12-13H2,1-3H3 | PDB
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| n/a | n/a | 42 | 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)) | BDBM50143358
((S)-N*1*,N*1*-Diethyl-N*4*-(1,2,3,4,5,6,7,8-octahy...)Show InChI InChI=1S/C22H37N3/c1-4-25(5-2)16-10-11-17(3)23-22-18-12-6-8-14-20(18)24-21-15-9-7-13-19(21)22/h17H,4-16H2,1-3H3,(H,23,24)/t17-/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 calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50178459
(6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-((tetrahydrof...)Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCC3CCCO3)c2c1C Show InChI InChI=1S/C22H28N4O2/c1-5-27-18-10-8-17(9-11-18)26-15(3)20-14(2)24-25-22(21(20)16(26)4)23-13-19-7-6-12-28-19/h8-11,19H,5-7,12-13H2,1-4H3,(H,23,25) | PDB
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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)) | BDBM50143348
(CHEMBL299461 | N*1*-Acridin-9-yl-1-cyclopropyl-N*4...)Show InChI InChI=1S/C24H31N3/c1-3-27(4-2)17-9-14-21(18-15-16-18)26-24-19-10-5-7-12-22(19)25-23-13-8-6-11-20(23)24/h5-8,10-13,18,21H,3-4,9,14-17H2,1-2H3,(H,25,26) | 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 calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50178468
(CHEMBL382960 | N-(2,3-dihydro-1H-inden-1-yl)-6-(4-...)Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NC3CCc4ccccc34)c2c1C Show InChI InChI=1S/C26H28N4O/c1-5-31-21-13-11-20(12-14-21)30-17(3)24-16(2)28-29-26(25(24)18(30)4)27-23-15-10-19-8-6-7-9-22(19)23/h6-9,11-14,23H,5,10,15H2,1-4H3,(H,27,29) | PDB
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| n/a | n/a | 54 | 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)) | BDBM50348463
(CHEMBL1801213)Show InChI InChI=1S/C20H26N6O/c1-4-27-17-8-6-16(7-9-17)26-15(3)18-14(2)22-23-20(19(18)24-26)25-12-5-10-21-11-13-25/h6-9,21H,4-5,10-13H2,1-3H3 | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 58 | 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)) | BDBM50178462
(CHEMBL201818 | N-butyl-6-(4-ethoxyphenyl)-4,5,7-tr...)Show SMILES CCCCNc1nnc(C)c2c(C)n(c(C)c12)-c1ccc(OCC)cc1 Show InChI InChI=1S/C21H28N4O/c1-6-8-13-22-21-20-16(5)25(15(4)19(20)14(3)23-24-21)17-9-11-18(12-10-17)26-7-2/h9-12H,6-8,13H2,1-5H3,(H,22,24) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 61 | 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)) | BDBM50178486
(6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-(quinolin-8-y...)Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3cccc4cccnc34)c2c1C Show InChI InChI=1S/C27H27N5O/c1-5-33-23-13-11-22(12-14-23)32-18(3)24-17(2)30-31-27(25(24)19(32)4)29-16-21-9-6-8-20-10-7-15-28-26(20)21/h6-15H,5,16H2,1-4H3,(H,29,31) | PDB
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UniChem
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PubMed
| n/a | n/a | 63 | 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)) | BDBM50178467
(1-(6-ethoxy-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyrid...)Show InChI InChI=1S/C17H25N7O/c1-6-23-10-14(9-19-23)8-18-21-17-16-13(5)24(25-7-2)12(4)15(16)11(3)20-22-17/h9-10,18H,6-8H2,1-5H3,(H,21,22) | PDB
UniProtKB/SwissProt
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UniChem
| Article
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| n/a | n/a | 64 | 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)) | BDBM50178481
(CHEMBL202603 | N-(4-chlorobenzyl)-6-(4-ethoxypheny...)Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3ccc(Cl)cc3)c2c1C Show InChI InChI=1S/C24H25ClN4O/c1-5-30-21-12-10-20(11-13-21)29-16(3)22-15(2)27-28-24(23(22)17(29)4)26-14-18-6-8-19(25)9-7-18/h6-13H,5,14H2,1-4H3,(H,26,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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UniChem
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| Article
PubMed
| n/a | n/a | 65 | 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)) | BDBM50178484
(6-(4-ethoxyphenyl)-N-isopropyl-4,5,7-trimethyl-6H-...)Show InChI InChI=1S/C20H26N4O/c1-7-25-17-10-8-16(9-11-17)24-14(5)18-13(4)22-23-20(21-12(2)3)19(18)15(24)6/h8-12H,7H2,1-6H3,(H,21,23) | PDB
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PubMed
| n/a | n/a | 67 | 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)) | BDBM50178465
(CHEMBL381840 | N-((4-cyclopropyl-1H-pyrazol-3-yl)m...)Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3[nH]ncc3C3CC3)c2c1C Show InChI InChI=1S/C24H28N6O/c1-5-31-19-10-8-18(9-11-19)30-15(3)22-14(2)27-29-24(23(22)16(30)4)25-13-21-20(12-26-28-21)17-6-7-17/h8-12,17H,5-7,13H2,1-4H3,(H,25,29)(H,26,28) | PDB
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PubMed
| n/a | n/a | 68 | 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)) | BDBM50178449
(6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-((1-methyl-1H...)Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3cnn(C)c3)c2c1C Show InChI InChI=1S/C22H26N6O/c1-6-29-19-9-7-18(8-10-19)28-15(3)20-14(2)25-26-22(21(20)16(28)4)23-11-17-12-24-27(5)13-17/h7-10,12-13H,6,11H2,1-5H3,(H,23,26) | PDB
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| n/a | n/a | 69 | 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)) | BDBM50178475
(CHEMBL201992 | N-((1H-indol-4-yl)methyl)-6-(4-etho...)Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3cccc4[nH]ccc34)c2c1C Show InChI InChI=1S/C26H27N5O/c1-5-32-21-11-9-20(10-12-21)31-17(3)24-16(2)29-30-26(25(24)18(31)4)28-15-19-7-6-8-23-22(19)13-14-27-23/h6-14,27H,5,15H2,1-4H3,(H,28,30) | PDB
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| Article
PubMed
| n/a | n/a | 70 | 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)) | BDBM50145306
(CHEMBL84067 | Phenethyl-[6-(3-trifluoromethyl-[1,2...)Show SMILES FC(F)(F)c1nnc2c3ccccc3c(OCc3cccc(CNCCc4ccccc4)n3)nn12 Show InChI InChI=1S/C25H21F3N6O/c26-25(27,28)24-32-31-22-20-11-4-5-12-21(20)23(33-34(22)24)35-16-19-10-6-9-18(30-19)15-29-14-13-17-7-2-1-3-8-17/h1-12,29H,13-16H2 | PDB
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| Article
PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against alpha-2 delta-1 subunit of voltage gated subunit of Ca+2 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 | |
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