Found 339 hits with Last Name = 'myatt' 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 |
|---|
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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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-2
(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 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | 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 alpha2delta2 |
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)) | 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
PC sid
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-2
(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 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
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 alpha2delta2 |
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
PC cid
PC sid
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)) | 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
PC sid
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)) | 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)) | 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
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)) | 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | 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)) | 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | 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)) | 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | 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)) | 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
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UniChem
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| Article
PubMed
| 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)) | 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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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-2
(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 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 59 | 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 alpha2delta2 |
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-2
(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 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 79 | 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 alpha2delta2 |
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)) | BDBM50348469
(CHEMBL1801181)Show SMILES Cc1n(nc2c(nnc(C)c12)N1CCCC1)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C18H18F3N5O/c1-11-15-12(2)26(13-5-7-14(8-6-13)27-18(19,20)21)24-16(15)17(23-22-11)25-9-3-4-10-25/h5-8H,3-4,9-10H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 79 | 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-2
(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 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 85 | 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 alpha2delta2 |
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)) | BDBM50348476
(CHEMBL1801189)Show SMILES COC1CN(C1)c1nnc(C)c2c(C)n(nc12)-c1ccc(OCC(F)(F)F)cc1 Show InChI InChI=1S/C19H20F3N5O2/c1-11-16-12(2)27(13-4-6-14(7-5-13)29-10-19(20,21)22)25-17(16)18(24-23-11)26-8-15(9-26)28-3/h4-7,15H,8-10H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 126 | 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-2
(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 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 126 | 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 alpha2delta2 |
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-2
(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 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 158 | 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 alpha2delta2 |
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)) | BDBM50348462
(CHEMBL1801212)Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCN(C)CC1 Show InChI InChI=1S/C20H26N6O/c1-5-27-17-8-6-16(7-9-17)26-15(3)18-14(2)21-22-20(19(18)23-26)25-12-10-24(4)11-13-25/h6-9H,5,10-13H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 169 | 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 | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50344942
(CHEMBL532 | E-MYCIN E | ERYTHROMYCIN | ERYTHROMYCI...)Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O |r| Show InChI InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 expressed in Escherichia coli using diethoxyfluorescein substrate measured in 25 to 30 mins by time dependent inhibition a... |
J Med Chem 52: 1180-9 (2009)
Article DOI: 10.1021/jm801332q
BindingDB Entry DOI: 10.7270/Q208666T |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50254851
(3-Cyclohexyl-1-[4'-((3R,5S)-3,5-dimethyl-piperazin...)Show SMILES COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3C[C@H](C)N[C@H](C)C3)cc2)C(=O)NC2CCCCC2)c1 |r| Show InChI InChI=1S/C36H48N4O2/c1-27-23-39(24-28(2)37-27)25-30-16-18-31(19-17-30)35-15-8-7-11-32(35)26-40(36(41)38-33-12-5-4-6-13-33)21-20-29-10-9-14-34(22-29)42-3/h7-11,14-19,22,27-28,33,37H,4-6,12-13,20-21,23-26H2,1-3H3,(H,38,41)/t27-,28+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using diethoxyfluorescein substrate |
Bioorg Med Chem Lett 18: 6429-36 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.072
BindingDB Entry DOI: 10.7270/Q2HQ3ZR3 |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-2
(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 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | 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 alpha2delta2 |
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)) | BDBM50348477
(CHEMBL1801190)Show SMILES COC1CN(C1)c1nnc(C)c2c(C)n(nc12)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C17H17Cl2N5O/c1-9-15-10(2)24(14-5-4-11(18)6-13(14)19)22-16(15)17(21-20-9)23-7-12(8-23)25-3/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 | 200 | 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)) | BDBM50348461
(CHEMBL1801211)Show InChI InChI=1S/C19H24N6O/c1-4-26-16-7-5-15(6-8-16)25-14(3)17-13(2)21-22-19(18(17)23-25)24-11-9-20-10-12-24/h5-8,20H,4,9-12H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 213 | 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 | |
Potassium voltage-gated channel subfamily H member 2
(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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human hERG |
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-2
(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 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 316 | 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 alpha2delta2 |
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-2
(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 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 398 | 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 alpha2delta2 |
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-2
(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 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 398 | 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 alpha2delta2 |
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 | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50254851
(3-Cyclohexyl-1-[4'-((3R,5S)-3,5-dimethyl-piperazin...)Show SMILES COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3C[C@H](C)N[C@H](C)C3)cc2)C(=O)NC2CCCCC2)c1 |r| Show InChI InChI=1S/C36H48N4O2/c1-27-23-39(24-28(2)37-27)25-30-16-18-31(19-17-30)35-15-8-7-11-32(35)26-40(36(41)38-33-12-5-4-6-13-33)21-20-29-10-9-14-34(22-29)42-3/h7-11,14-19,22,27-28,33,37H,4-6,12-13,20-21,23-26H2,1-3H3,(H,38,41)/t27-,28+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using phenylpiperazinylmethylbenzylresofurin substrate |
Bioorg Med Chem Lett 18: 6429-36 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.072
BindingDB Entry DOI: 10.7270/Q2HQ3ZR3 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50254968
(CHEMBL479418 | [4'-((3R,5S)-3,5-Dimethyl-piperazin...)Show SMILES C[C@H]1CN(Cc2ccc(cc2)-c2ccccc2C(=O)N2CCC(Cc3ccc(F)cc3)CC2)C[C@@H](C)N1 |r| Show InChI InChI=1S/C32H38FN3O/c1-23-20-35(21-24(2)34-23)22-27-7-11-28(12-8-27)30-5-3-4-6-31(30)32(37)36-17-15-26(16-18-36)19-25-9-13-29(33)14-10-25/h3-14,23-24,26,34H,15-22H2,1-2H3/t23-,24+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using phenylpiperazinylmethylbenzylresofurin substrate |
Bioorg Med Chem Lett 18: 6429-36 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.072
BindingDB Entry DOI: 10.7270/Q2HQ3ZR3 |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-2
(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) | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 537 | 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 alpha2delta2 |
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 | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50254968
(CHEMBL479418 | [4'-((3R,5S)-3,5-Dimethyl-piperazin...)Show SMILES C[C@H]1CN(Cc2ccc(cc2)-c2ccccc2C(=O)N2CCC(Cc3ccc(F)cc3)CC2)C[C@@H](C)N1 |r| Show InChI InChI=1S/C32H38FN3O/c1-23-20-35(21-24(2)34-23)22-27-7-11-28(12-8-27)30-5-3-4-6-31(30)32(37)36-17-15-26(16-18-36)19-25-9-13-29(33)14-10-25/h3-14,23-24,26,34H,15-22H2,1-2H3/t23-,24+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using diethoxyfluorescein substrate |
Bioorg Med Chem Lett 18: 6429-36 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.072
BindingDB Entry DOI: 10.7270/Q2HQ3ZR3 |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-2
(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 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 631 | 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 alpha2delta2 |
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-2
(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 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 631 | 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 alpha2delta2 |
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-2
(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 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 794 | 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 alpha2delta2 |
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-2
(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 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 794 | 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 alpha2delta2 |
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 | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50254931
(4'-((3R,5S)-3,5-Dimethyl-piperazin-1-ylmethyl)-bip...)Show SMILES CCN(CCc1ccccc1)C(=O)c1ccccc1-c1ccc(CN2C[C@H](C)N[C@H](C)C2)cc1 |r| Show InChI InChI=1S/C30H37N3O/c1-4-33(19-18-25-10-6-5-7-11-25)30(34)29-13-9-8-12-28(29)27-16-14-26(15-17-27)22-32-20-23(2)31-24(3)21-32/h5-17,23-24,31H,4,18-22H2,1-3H3/t23-,24+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using diethoxyfluorescein substrate |
Bioorg Med Chem Lett 18: 6429-36 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.072
BindingDB Entry DOI: 10.7270/Q2HQ3ZR3 |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-2
(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 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+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 alpha2delta2 |
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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