Found 53 hits Enz. Inhib. hit(s) with all data for entry = 50005540 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 |
|---|
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50492694
(CHEMBL2409310)Show SMILES CCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1C1CCN(C)CC1 Show InChI InChI=1S/C24H26Cl2N4O2/c1-3-32-21-12-20-16(11-15(21)14-7-9-30(2)10-8-14)23(17(13-28-20)24(27)31)29-19-6-4-5-18(25)22(19)26/h4-6,11-14H,3,7-10H2,1-2H3,(H2,27,31)(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50492679
(CHEMBL2409397)Show SMILES COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(CC1)C(C)C Show InChI InChI=1S/C24H29FN6O2/c1-14(2)30-7-9-31(10-8-30)20-12-16-19(13-21(20)33-4)28-29-23(24(26)32)22(16)27-18-6-5-15(3)11-17(18)25/h5-6,11-14H,7-10H2,1-4H3,(H2,26,32)(H,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50492675
(CHEMBL2409398)Show SMILES COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCCN(C)CC1 Show InChI InChI=1S/C23H27FN6O2/c1-14-5-6-17(16(24)11-14)26-21-15-12-19(30-8-4-7-29(2)9-10-30)20(32-3)13-18(15)27-28-22(21)23(25)31/h5-6,11-13H,4,7-10H2,1-3H3,(H2,25,31)(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50492693
(CHEMBL1683036)Show SMILES COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(C)CC1 Show InChI InChI=1S/C22H25FN6O2/c1-13-4-5-16(15(23)10-13)25-20-14-11-18(29-8-6-28(2)7-9-29)19(31-3)12-17(14)26-27-21(20)22(24)30/h4-5,10-12H,6-9H2,1-3H3,(H2,24,30)(H,25,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50492678
(CHEMBL520431)Show SMILES CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCCN(C)CC1 Show InChI InChI=1S/C24H27F2N5O2/c1-3-33-22-13-20-16(12-21(22)31-8-4-7-30(2)9-10-31)23(17(14-28-20)24(27)32)29-19-6-5-15(25)11-18(19)26/h5-6,11-14H,3-4,7-10H2,1-2H3,(H2,27,32)(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50492676
(CHEMBL2409409)Show SMILES COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1C1CCN(CC1)C(C)C Show InChI InChI=1S/C25H30FN5O2/c1-14(2)31-9-7-16(8-10-31)17-12-18-21(13-22(17)33-4)29-30-24(25(27)32)23(18)28-20-6-5-15(3)11-19(20)26/h5-6,11-14,16H,7-10H2,1-4H3,(H2,27,32)(H,28,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50492677
(CHEMBL481008)Show SMILES CCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1N1CCN(C)CC1 Show InChI InChI=1S/C23H25Cl2N5O2/c1-3-32-20-12-18-14(11-19(20)30-9-7-29(2)8-10-30)22(15(13-27-18)23(26)31)28-17-6-4-5-16(24)21(17)25/h4-6,11-13H,3,7-10H2,1-2H3,(H2,26,31)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50492677
(CHEMBL481008)Show SMILES CCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1N1CCN(C)CC1 Show InChI InChI=1S/C23H25Cl2N5O2/c1-3-32-20-12-18-14(11-19(20)30-9-7-29(2)8-10-30)22(15(13-27-18)23(26)31)28-17-6-4-5-16(24)21(17)25/h4-6,11-13H,3,7-10H2,1-2H3,(H2,26,31)(H,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50492682
(CHEMBL2409311)Show SMILES COCCOc1cc2ncc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCOCC1 Show InChI InChI=1S/C24H27FN4O4/c1-15-3-4-19(18(25)11-15)28-23-16-12-21(29-5-7-32-8-6-29)22(33-10-9-31-2)13-20(16)27-14-17(23)24(26)30/h3-4,11-14H,5-10H2,1-2H3,(H2,26,30)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50492684
(CHEMBL2409309)Show SMILES CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1C1CCN(C)CC1 Show InChI InChI=1S/C24H26F2N4O2/c1-3-32-22-12-21-17(11-16(22)14-6-8-30(2)9-7-14)23(18(13-28-21)24(27)31)29-20-5-4-15(25)10-19(20)26/h4-5,10-14H,3,6-9H2,1-2H3,(H2,27,31)(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50492676
(CHEMBL2409409)Show SMILES COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1C1CCN(CC1)C(C)C Show InChI InChI=1S/C25H30FN5O2/c1-14(2)31-9-7-16(8-10-31)17-12-18-21(13-22(17)33-4)29-30-24(25(27)32)23(18)28-20-6-5-15(3)11-19(20)26/h5-6,11-14,16H,7-10H2,1-4H3,(H2,27,32)(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50492675
(CHEMBL2409398)Show SMILES COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCCN(C)CC1 Show InChI InChI=1S/C23H27FN6O2/c1-14-5-6-17(16(24)11-14)26-21-15-12-19(30-8-4-7-29(2)9-10-30)20(32-3)13-18(15)27-28-22(21)23(25)31/h5-6,11-13H,4,7-10H2,1-3H3,(H2,25,31)(H,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50492692
(CHEMBL521096)Show SMILES CCOc1cc2ncc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(C)CC1 Show InChI InChI=1S/C24H28FN5O2/c1-4-32-22-13-20-16(12-21(22)30-9-7-29(3)8-10-30)23(17(14-27-20)24(26)31)28-19-6-5-15(2)11-18(19)25/h5-6,11-14H,4,7-10H2,1-3H3,(H2,26,31)(H,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50255811
(4-(2,4-difluorophenylamino)-7-ethoxy-6-(4-methylpi...)Show SMILES CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCN(C)CC1 Show InChI InChI=1S/C23H25F2N5O2/c1-3-32-21-12-19-15(11-20(21)30-8-6-29(2)7-9-30)22(16(13-27-19)23(26)31)28-18-5-4-14(24)10-17(18)25/h4-5,10-13H,3,6-9H2,1-2H3,(H2,26,31)(H,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50492674
(CHEMBL2409410)Show SMILES COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1C1CCN(CCO)CC1 Show InChI InChI=1S/C24H28FN5O3/c1-14-3-4-19(18(25)11-14)27-22-17-12-16(15-5-7-30(8-6-15)9-10-31)21(33-2)13-20(17)28-29-23(22)24(26)32/h3-4,11-13,15,31H,5-10H2,1-2H3,(H2,26,32)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50492699
(CHEMBL2409402)Show SMILES COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCCN(CCO)CC1 Show InChI InChI=1S/C24H29FN6O3/c1-15-4-5-18(17(25)12-15)27-22-16-13-20(31-7-3-6-30(8-9-31)10-11-32)21(34-2)14-19(16)28-29-23(22)24(26)33/h4-5,12-14,32H,3,6-11H2,1-2H3,(H2,26,33)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50492690
(CHEMBL2409399)Show SMILES COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1C[C@H](C)N[C@H](C)C1 |r| Show InChI InChI=1S/C23H27FN6O2/c1-12-5-6-17(16(24)7-12)27-21-15-8-19(30-10-13(2)26-14(3)11-30)20(32-4)9-18(15)28-29-22(21)23(25)31/h5-9,13-14,26H,10-11H2,1-4H3,(H2,25,31)(H,27,28)/t13-,14+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50492692
(CHEMBL521096)Show SMILES CCOc1cc2ncc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(C)CC1 Show InChI InChI=1S/C24H28FN5O2/c1-4-32-22-13-20-16(12-21(22)30-9-7-29(3)8-10-30)23(17(14-27-20)24(26)31)28-19-6-5-15(2)11-18(19)25/h5-6,11-14H,4,7-10H2,1-3H3,(H2,26,31)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50492680
(CHEMBL2409405)Show SMILES COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCS(=O)(=O)CC1 Show InChI InChI=1S/C21H22FN5O4S/c1-12-3-4-15(14(22)9-12)24-19-13-10-17(27-5-7-32(29,30)8-6-27)18(31-2)11-16(13)25-26-20(19)21(23)28/h3-4,9-11H,5-8H2,1-2H3,(H2,23,28)(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50492679
(CHEMBL2409397)Show SMILES COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(CC1)C(C)C Show InChI InChI=1S/C24H29FN6O2/c1-14(2)30-7-9-31(10-8-30)20-12-16-19(13-21(20)33-4)28-29-23(24(26)32)22(16)27-18-6-5-15(3)11-17(18)25/h5-6,11-14H,7-10H2,1-4H3,(H2,26,32)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50492691
(CHEMBL481717)Show SMILES CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCC(O)CC1 Show InChI InChI=1S/C23H24F2N4O3/c1-2-32-21-11-19-15(10-20(21)29-7-5-14(30)6-8-29)22(16(12-27-19)23(26)31)28-18-4-3-13(24)9-17(18)25/h3-4,9-12,14,30H,2,5-8H2,1H3,(H2,26,31)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50492690
(CHEMBL2409399)Show SMILES COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1C[C@H](C)N[C@H](C)C1 |r| Show InChI InChI=1S/C23H27FN6O2/c1-12-5-6-17(16(24)7-12)27-21-15-8-19(30-10-13(2)26-14(3)11-30)20(32-4)9-18(15)28-29-22(21)23(25)31/h5-9,13-14,26H,10-11H2,1-4H3,(H2,25,31)(H,27,28)/t13-,14+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50492696
(CHEMBL2409400)Show SMILES COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCC(CC1)N(C)C Show InChI InChI=1S/C24H29FN6O2/c1-14-5-6-18(17(25)11-14)27-22-16-12-20(31-9-7-15(8-10-31)30(2)3)21(33-4)13-19(16)28-29-23(22)24(26)32/h5-6,11-13,15H,7-10H2,1-4H3,(H2,26,32)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50492689
(CHEMBL2409401)Show SMILES COCCN1CCN(CC1)c1cc2c(Nc3ccc(C)cc3F)c(nnc2cc1OC)C(N)=O Show InChI InChI=1S/C24H29FN6O3/c1-15-4-5-18(17(25)12-15)27-22-16-13-20(31-8-6-30(7-9-31)10-11-33-2)21(34-3)14-19(16)28-29-23(22)24(26)32/h4-5,12-14H,6-11H2,1-3H3,(H2,26,32)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50255811
(4-(2,4-difluorophenylamino)-7-ethoxy-6-(4-methylpi...)Show SMILES CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCN(C)CC1 Show InChI InChI=1S/C23H25F2N5O2/c1-3-32-21-12-19-15(11-20(21)30-8-6-29(2)7-9-30)22(16(13-27-19)23(26)31)28-18-5-4-14(24)10-17(18)25/h4-5,10-13H,3,6-9H2,1-2H3,(H2,26,31)(H,27,28) | 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 | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50492696
(CHEMBL2409400)Show SMILES COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCC(CC1)N(C)C Show InChI InChI=1S/C24H29FN6O2/c1-14-5-6-18(17(25)11-14)27-22-16-12-20(31-9-7-15(8-10-31)30(2)3)21(33-4)13-19(16)28-29-23(22)24(26)32/h5-6,11-13,15H,7-10H2,1-4H3,(H2,26,32)(H,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50492674
(CHEMBL2409410)Show SMILES COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1C1CCN(CCO)CC1 Show InChI InChI=1S/C24H28FN5O3/c1-14-3-4-19(18(25)11-14)27-22-17-12-16(15-5-7-30(8-6-15)9-10-31)21(33-2)13-20(17)28-29-23(22)24(26)32/h3-4,11-13,15,31H,5-10H2,1-2H3,(H2,26,32)(H,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50492685
(CHEMBL2409407)Show SMILES COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(CCO)CC1 Show InChI InChI=1S/C23H27FN6O3/c1-14-3-4-17(16(24)11-14)26-21-15-12-19(30-7-5-29(6-8-30)9-10-31)20(33-2)13-18(15)27-28-22(21)23(25)32/h3-4,11-13,31H,5-10H2,1-2H3,(H2,25,32)(H,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50492699
(CHEMBL2409402)Show SMILES COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCCN(CCO)CC1 Show InChI InChI=1S/C24H29FN6O3/c1-15-4-5-18(17(25)12-15)27-22-16-13-20(31-7-3-6-30(8-9-31)10-11-32)21(34-2)14-19(16)28-29-23(22)24(26)33/h4-5,12-14,32H,3,6-11H2,1-2H3,(H2,26,33)(H,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50492689
(CHEMBL2409401)Show SMILES COCCN1CCN(CC1)c1cc2c(Nc3ccc(C)cc3F)c(nnc2cc1OC)C(N)=O Show InChI InChI=1S/C24H29FN6O3/c1-15-4-5-18(17(25)12-15)27-22-16-13-20(31-8-6-30(7-9-31)10-11-33-2)21(34-3)14-19(16)28-29-23(22)24(26)32/h4-5,12-14H,6-11H2,1-3H3,(H2,26,32)(H,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50492697
(CHEMBL2409408)Show SMILES COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(CC1)C(=O)[C@@H](C)O |r| Show InChI InChI=1S/C24H27FN6O4/c1-13-4-5-17(16(25)10-13)27-21-15-11-19(30-6-8-31(9-7-30)24(34)14(2)32)20(35-3)12-18(15)28-29-22(21)23(26)33/h4-5,10-12,14,32H,6-9H2,1-3H3,(H2,26,33)(H,27,28)/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50492698
(CHEMBL2409404)Show SMILES COC1CCN(CC1)c1cc2c(Nc3ccc(C)cc3F)c(nnc2cc1OC)C(N)=O Show InChI InChI=1S/C23H26FN5O3/c1-13-4-5-17(16(24)10-13)26-21-15-11-19(29-8-6-14(31-2)7-9-29)20(32-3)12-18(15)27-28-22(21)23(25)30/h4-5,10-12,14H,6-9H2,1-3H3,(H2,25,30)(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50492695
(CHEMBL479441)Show SMILES COCCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCN(C)CC1 Show InChI InChI=1S/C24H27F2N5O3/c1-30-5-7-31(8-6-30)21-12-16-20(13-22(21)34-10-9-33-2)28-14-17(24(27)32)23(16)29-19-4-3-15(25)11-18(19)26/h3-4,11-14H,5-10H2,1-2H3,(H2,27,32)(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50492686
(CHEMBL2409406)Show SMILES COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C22H25FN6O4S/c1-13-4-5-16(15(23)10-13)25-20-14-11-18(28-6-8-29(9-7-28)34(3,31)32)19(33-2)12-17(14)26-27-21(20)22(24)30/h4-5,10-12H,6-9H2,1-3H3,(H2,24,30)(H,25,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50492681
(CHEMBL2409403)Show SMILES COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCOCC1 Show InChI InChI=1S/C21H22FN5O3/c1-12-3-4-15(14(22)9-12)24-19-13-10-17(27-5-7-30-8-6-27)18(29-2)11-16(13)25-26-20(19)21(23)28/h3-4,9-11H,5-8H2,1-2H3,(H2,23,28)(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50492680
(CHEMBL2409405)Show SMILES COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCS(=O)(=O)CC1 Show InChI InChI=1S/C21H22FN5O4S/c1-12-3-4-15(14(22)9-12)24-19-13-10-17(27-5-7-32(29,30)8-6-27)18(31-2)11-16(13)25-26-20(19)21(23)28/h3-4,9-11H,5-8H2,1-2H3,(H2,23,28)(H,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50492687
(CHEMBL2409313)Show SMILES CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCN(C)C(=O)C1 Show InChI InChI=1S/C23H23F2N5O3/c1-3-33-20-10-18-14(9-19(20)30-7-6-29(2)21(31)12-30)22(15(11-27-18)23(26)32)28-17-5-4-13(24)8-16(17)25/h4-5,8-11H,3,6-7,12H2,1-2H3,(H2,26,32)(H,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50492686
(CHEMBL2409406)Show SMILES COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C22H25FN6O4S/c1-13-4-5-16(15(23)10-13)25-20-14-11-18(28-6-8-29(9-7-28)34(3,31)32)19(33-2)12-17(14)26-27-21(20)22(24)30/h4-5,10-12H,6-9H2,1-3H3,(H2,24,30)(H,25,26) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50492685
(CHEMBL2409407)Show SMILES COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(CCO)CC1 Show InChI InChI=1S/C23H27FN6O3/c1-14-3-4-17(16(24)11-14)26-21-15-12-19(30-7-5-29(6-8-30)9-10-31)20(33-2)13-18(15)27-28-22(21)23(25)32/h3-4,11-13,31H,5-10H2,1-2H3,(H2,25,32)(H,26,27) | PDB
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MCE
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UniChem
| Article
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50492691
(CHEMBL481717)Show SMILES CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCC(O)CC1 Show InChI InChI=1S/C23H24F2N4O3/c1-2-32-21-11-19-15(10-20(21)29-7-5-14(30)6-8-29)22(16(12-27-19)23(26)31)28-18-4-3-13(24)9-17(18)25/h3-4,9-12,14,30H,2,5-8H2,1H3,(H2,26,31)(H,27,28) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50492698
(CHEMBL2409404)Show SMILES COC1CCN(CC1)c1cc2c(Nc3ccc(C)cc3F)c(nnc2cc1OC)C(N)=O Show InChI InChI=1S/C23H26FN5O3/c1-13-4-5-17(16(24)10-13)26-21-15-11-19(29-8-6-14(31-2)7-9-29)20(32-3)12-18(15)27-28-22(21)23(25)30/h4-5,10-12,14H,6-9H2,1-3H3,(H2,25,30)(H,26,27) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50492697
(CHEMBL2409408)Show SMILES COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(CC1)C(=O)[C@@H](C)O |r| Show InChI InChI=1S/C24H27FN6O4/c1-13-4-5-17(16(25)10-13)27-21-15-11-19(30-6-8-31(9-7-30)24(34)14(2)32)20(35-3)12-18(15)28-29-22(21)23(26)33/h4-5,10-12,14,32H,6-9H2,1-3H3,(H2,26,33)(H,27,28)/t14-/m1/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50492683
(CHEMBL481205)Show SMILES COCCOc1cc2ncc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(C)CC1 Show InChI InChI=1S/C25H30FN5O3/c1-16-4-5-20(19(26)12-16)29-24-17-13-22(31-8-6-30(2)7-9-31)23(34-11-10-33-3)14-21(17)28-15-18(24)25(27)32/h4-5,12-15H,6-11H2,1-3H3,(H2,27,32)(H,28,29) | PDB
MMDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50492695
(CHEMBL479441)Show SMILES COCCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCN(C)CC1 Show InChI InChI=1S/C24H27F2N5O3/c1-30-5-7-31(8-6-30)21-12-16-20(13-22(21)34-10-9-33-2)28-14-17(24(27)32)23(16)29-19-4-3-15(25)11-18(19)26/h3-4,11-14H,5-10H2,1-2H3,(H2,27,32)(H,28,29) | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50492681
(CHEMBL2409403)Show SMILES COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCOCC1 Show InChI InChI=1S/C21H22FN5O3/c1-12-3-4-15(14(22)9-12)24-19-13-10-17(27-5-7-30-8-6-27)18(29-2)11-16(13)25-26-20(19)21(23)28/h3-4,9-11H,5-8H2,1-2H3,(H2,23,28)(H,24,25) | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50492693
(CHEMBL1683036)Show SMILES COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(C)CC1 Show InChI InChI=1S/C22H25FN6O2/c1-13-4-5-16(15(23)10-13)25-20-14-11-18(29-8-6-28(2)7-9-29)19(31-3)12-17(14)26-27-21(20)22(24)30/h4-5,10-12H,6-9H2,1-3H3,(H2,24,30)(H,25,26) | PDB
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| PC cid
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UniChem
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50492694
(CHEMBL2409310)Show SMILES CCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1C1CCN(C)CC1 Show InChI InChI=1S/C24H26Cl2N4O2/c1-3-32-21-12-20-16(11-15(21)14-7-9-30(2)10-8-14)23(17(13-28-20)24(27)31)29-19-6-4-5-18(25)22(19)26/h4-6,11-14H,3,7-10H2,1-2H3,(H2,27,31)(H,28,29) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50492678
(CHEMBL520431)Show SMILES CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCCN(C)CC1 Show InChI InChI=1S/C24H27F2N5O2/c1-3-33-22-13-20-16(12-21(22)31-8-4-7-30(2)9-10-31)23(17(14-28-20)24(27)32)29-19-6-5-15(25)11-18(19)26/h5-6,11-14H,3-4,7-10H2,1-2H3,(H2,27,32)(H,28,29) | PDB
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UniChem
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50492682
(CHEMBL2409311)Show SMILES COCCOc1cc2ncc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCOCC1 Show InChI InChI=1S/C24H27FN4O4/c1-15-3-4-19(18(25)11-15)28-23-16-12-21(29-5-7-32-8-6-29)22(33-10-9-31-2)13-20(16)27-14-17(23)24(26)30/h3-4,11-14H,5-10H2,1-2H3,(H2,26,30)(H,27,28) | PDB
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UniChem
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50492683
(CHEMBL481205)Show SMILES COCCOc1cc2ncc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(C)CC1 Show InChI InChI=1S/C25H30FN5O3/c1-16-4-5-20(19(26)12-16)29-24-17-13-22(31-8-6-30(2)7-9-31)23(34-11-10-33-3)14-21(17)28-15-18(24)25(27)32/h4-5,12-15H,6-11H2,1-3H3,(H2,27,32)(H,28,29) | PDB
KEGG
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UniChem
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 |
Bioorg Med Chem Lett 23: 4591-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2KQC |
More data for this
Ligand-Target Pair | |
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