Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50010459 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)) | BDBM50539082
(CHEMBL4638334)Show SMILES CCSc1cc(cc(SCC)n1)[C@](O)(CCN(C)C)[C@H](c1ccnc(OC)c1OC)c1cc2cc(ccc2nc1OC)C#N |r| Show InChI InChI=1S/C33H39N5O4S2/c1-8-43-27-18-23(19-28(37-27)44-9-2)33(39,13-15-38(3)4)29(24-12-14-35-32(42-7)30(24)40-5)25-17-22-16-21(20-34)10-11-26(22)36-31(25)41-6/h10-12,14,16-19,29,39H,8-9,13,15H2,1-7H3/t29-,33-/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 | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50063995
(Bedaquiline | CHEBI:72292 | TMC207)Show SMILES COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12 |r| Show InChI InChI=1S/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539065
(CHEMBL4646329)Show SMILES COc1cc(cc(n1)S(C)(=O)=O)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1F)c1cc2cc(Br)ccc2nc1OC |r| Show InChI InChI=1S/C30H33BrFN3O6S/c1-35(2)13-12-30(36,19-16-25(40-4)34-26(17-19)42(6,37)38)27(21-8-7-9-24(39-3)28(21)32)22-15-18-14-20(31)10-11-23(18)33-29(22)41-5/h7-11,14-17,27,36H,12-13H2,1-6H3/t27-,30-/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 | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539071
(CHEMBL4637257)Show SMILES COc1nccc([C@H](c2cc3cc(Br)ccc3nc2OC)[C@@](O)(CCN(C)C)c2cc(SC)nc(SC)c2)c1OC |r| Show InChI InChI=1S/C30H35BrN4O4S2/c1-35(2)13-11-30(36,19-16-24(40-6)34-25(17-19)41-7)26(21-10-12-32-29(39-5)27(21)37-3)22-15-18-14-20(31)8-9-23(18)33-28(22)38-4/h8-10,12,14-17,26,36H,11,13H2,1-7H3/t26-,30-/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 | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539049
(CHEMBL4647327)Show SMILES CCOc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@@H](c1cc2cc(Br)ccc2nc1OC)c1ccnc(OC)c1OC |r| Show InChI InChI=1S/C31H37BrN4O6/c1-8-42-26-18-20(17-25(35-26)38-4)31(37,12-14-36(2)3)27(22-11-13-33-30(41-7)28(22)39-5)23-16-19-15-21(32)9-10-24(19)34-29(23)40-6/h9-11,13,15-18,27,37H,8,12,14H2,1-7H3/t27-,31-/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 | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539066
(CHEMBL4645910)Show SMILES COc1cc(cc(n1)N(C)C)[C@](O)(CCN(C)C)[C@H](c1ccnc(OC)c1OC)c1cc2cc(ccc2nc1OC)C#N |r| Show InChI InChI=1S/C32H38N6O5/c1-37(2)14-12-32(39,22-17-26(38(3)4)36-27(18-22)40-5)28(23-11-13-34-31(43-8)29(23)41-6)24-16-21-15-20(19-33)9-10-25(21)35-30(24)42-7/h9-11,13,15-18,28,39H,12,14H2,1-8H3/t28-,32-/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 | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539057
(CHEMBL4645781)Show SMILES COc1cc(cc(OC(F)F)n1)[C@](O)(CCN(C)C)[C@H](c1cccc2OCOc12)c1cc2cc(ccc2nc1OC)C#N |r| Show InChI InChI=1S/C31H30F2N4O6/c1-37(2)11-10-31(38,20-14-25(39-3)36-26(15-20)43-30(32)33)27(21-6-5-7-24-28(21)42-17-41-24)22-13-19-12-18(16-34)8-9-23(19)35-29(22)40-4/h5-9,12-15,27,30,38H,10-11,17H2,1-4H3/t27-,31-/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 | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539070
(CHEMBL4637995)Show SMILES COc1cccc([C@H](c2cc3cc(ccc3nc2OC)C#N)[C@@](O)(CCN(C)C)c2cc(SC)nc(SC)c2)c1F |r| Show InChI InChI=1S/C31H33FN4O3S2/c1-36(2)13-12-31(37,21-16-26(40-5)35-27(17-21)41-6)28(22-8-7-9-25(38-3)29(22)32)23-15-20-14-19(18-33)10-11-24(20)34-30(23)39-4/h7-11,14-17,28,37H,12-13H2,1-6H3/t28-,31-/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 | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539060
(CHEMBL4645820)Show SMILES COc1cc(cc(OC(F)F)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1F)c1cc2cc(ccc2nc1OC)C#N |r| Show InChI InChI=1S/C31H31F3N4O5/c1-38(2)12-11-31(39,20-15-25(41-4)37-26(16-20)43-30(33)34)27(21-7-6-8-24(40-3)28(21)32)22-14-19-13-18(17-35)9-10-23(19)36-29(22)42-5/h6-10,13-16,27,30,39H,11-12H2,1-5H3/t27-,31-/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 | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539073
(CHEMBL4642317)Show SMILES COc1nc2ccc(cc2cc1[C@@H](c1cccc2OCOc12)[C@@](O)(CCN(C)C)c1cc(SC)nc(SC)c1)C#N |r| Show InChI InChI=1S/C31H32N4O4S2/c1-35(2)12-11-31(36,21-15-26(40-4)34-27(16-21)41-5)28(22-7-6-8-25-29(22)39-18-38-25)23-14-20-13-19(17-32)9-10-24(20)33-30(23)37-3/h6-10,13-16,28,36H,11-12,18H2,1-5H3/t28-,31-/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 | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539062
(CHEMBL4634074)Show SMILES COc1cc(cc(OC(F)F)n1)[C@](O)(CCN(C)C)[C@H](c1ccnc(OC)c1OC)c1cc2cc(ccc2nc1OC)C#N |r| Show InChI InChI=1S/C31H33F2N5O6/c1-38(2)12-10-31(39,20-15-24(40-3)37-25(16-20)44-30(32)33)26(21-9-11-35-29(43-6)27(21)41-4)22-14-19-13-18(17-34)7-8-23(19)36-28(22)42-5/h7-9,11,13-16,26,30,39H,10,12H2,1-6H3/t26-,31-/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 | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539054
(CHEMBL4645301)Show SMILES CCCOc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1ccnc(OC)c1OC)c1cc2cc(Br)ccc2nc1OC |r| Show InChI InChI=1S/C32H39BrN4O6/c1-8-15-43-27-19-21(18-26(36-27)39-4)32(38,12-14-37(2)3)28(23-11-13-34-31(42-7)29(23)40-5)24-17-20-16-22(33)9-10-25(20)35-30(24)41-6/h9-11,13,16-19,28,38H,8,12,14-15H2,1-7H3/t28-,32-/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 | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539076
(CHEMBL4647399)Show SMILES CCSc1cc(cc(SCC)n1)[C@](O)(CCN(C)C)[C@@H](c1cc2cc(Br)ccc2nc1OC)c1ccnc(OC)c1OC |r| Show InChI InChI=1S/C32H39BrN4O4S2/c1-8-42-26-18-21(19-27(36-26)43-9-2)32(38,13-15-37(3)4)28(23-12-14-34-31(41-7)29(23)39-5)24-17-20-16-22(33)10-11-25(20)35-30(24)40-6/h10-12,14,16-19,28,38H,8-9,13,15H2,1-7H3/t28-,32-/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 | 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539067
(CHEMBL4634936)Show SMILES CCOc1cc(cc(OC(C)C)n1)[C@](O)(CCN(C)C)[C@H](c1ccnc(OC)c1OC)c1cc2cc(Br)ccc2nc1OC |r| Show InChI InChI=1S/C33H41BrN4O6/c1-9-43-27-18-22(19-28(37-27)44-20(2)3)33(39,13-15-38(4)5)29(24-12-14-35-32(42-8)30(24)40-6)25-17-21-16-23(34)10-11-26(21)36-31(25)41-7/h10-12,14,16-20,29,39H,9,13,15H2,1-8H3/t29-,33-/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539068
(CHEMBL4649701)Show SMILES CCOc1cc(cc(OC(C)C)n1)[C@](O)(CCN(C)C)[C@@H](c1cc2cc(Br)ccc2nc1OC)c1c(OC)cncc1OC |r| Show InChI InChI=1S/C33H41BrN4O6/c1-9-43-28-16-22(17-29(37-28)44-20(2)3)33(39,12-13-38(4)5)31(30-26(40-6)18-35-19-27(30)41-7)24-15-21-14-23(34)10-11-25(21)36-32(24)42-8/h10-11,14-20,31,39H,9,12-13H2,1-8H3/t31-,33+/m0/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539069
(CHEMBL4645626)Show SMILES COc1cccc([C@H](c2cc3cc(Br)ccc3nc2OC)[C@@](O)(CCN(C)C)c2cc(SC)nc(SC)c2)c1F |r| Show InChI InChI=1S/C30H33BrFN3O3S2/c1-35(2)13-12-30(36,19-16-25(39-5)34-26(17-19)40-6)27(21-8-7-9-24(37-3)28(21)32)22-15-18-14-20(31)10-11-23(18)33-29(22)38-4/h7-11,14-17,27,36H,12-13H2,1-6H3/t27-,30-/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539072
(CHEMBL4648576)Show SMILES COc1nc2ccc(Br)cc2cc1[C@@H](c1cccc2OCOc12)[C@@](O)(CCN(C)C)c1cc(SC)nc(SC)c1 |r| Show InChI InChI=1S/C30H32BrN3O4S2/c1-34(2)12-11-30(35,19-15-25(39-4)33-26(16-19)40-5)27(21-7-6-8-24-28(21)38-17-37-24)22-14-18-13-20(31)9-10-23(18)32-29(22)36-3/h6-10,13-16,27,35H,11-12,17H2,1-5H3/t27-,30-/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539064
(CHEMBL4641396)Show SMILES COc1cc(cc(SC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1F)c1cc2cc(ccc2nc1OC)C#N |r| Show InChI InChI=1S/C31H33FN4O4S/c1-36(2)13-12-31(37,21-16-26(39-4)35-27(17-21)41-6)28(22-8-7-9-25(38-3)29(22)32)23-15-20-14-19(18-33)10-11-24(20)34-30(23)40-5/h7-11,14-17,28,37H,12-13H2,1-6H3/t28-,31-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539061
(CHEMBL4639062)Show SMILES COc1cc(cc(OC(F)F)n1)[C@](O)(CCN(C)C)[C@@H](c1cc2cc(Br)ccc2nc1OC)c1ccnc(OC)c1OC |r| Show InChI InChI=1S/C30H33BrF2N4O6/c1-37(2)12-10-30(38,18-15-23(39-3)36-24(16-18)43-29(32)33)25(20-9-11-34-28(42-6)26(20)40-4)21-14-17-13-19(31)7-8-22(17)35-27(21)41-5/h7-9,11,13-16,25,29,38H,10,12H2,1-6H3/t25-,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539077
(CHEMBL4641177)Show SMILES CCSc1cc(cc(SCC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1F)c1cc2cc(Br)ccc2nc1OC |r| Show InChI InChI=1S/C32H37BrFN3O3S2/c1-7-41-27-18-21(19-28(36-27)42-8-2)32(38,14-15-37(3)4)29(23-10-9-11-26(39-5)30(23)34)24-17-20-16-22(33)12-13-25(20)35-31(24)40-6/h9-13,16-19,29,38H,7-8,14-15H2,1-6H3/t29-,32-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539078
(CHEMBL4641852)Show SMILES CCSc1cc(cc(SCC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1F)c1cc2cc(ccc2nc1OC)C#N |r| Show InChI InChI=1S/C33H37FN4O3S2/c1-7-42-28-18-23(19-29(37-28)43-8-2)33(39,14-15-38(3)4)30(24-10-9-11-27(40-5)31(24)34)25-17-22-16-21(20-35)12-13-26(22)36-32(25)41-6/h9-13,16-19,30,39H,7-8,14-15H2,1-6H3/t30-,33-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539056
(CHEMBL4633025)Show SMILES COc1cc(cc(OC(F)F)n1)[C@](O)(CCN(C)C)[C@H](c1cccc2OCOc12)c1cc2cc(Br)ccc2nc1OC |r| Show InChI InChI=1S/C30H30BrF2N3O6/c1-36(2)11-10-30(37,18-14-24(38-3)35-25(15-18)42-29(32)33)26(20-6-5-7-23-27(20)41-16-40-23)21-13-17-12-19(31)8-9-22(17)34-28(21)39-4/h5-9,12-15,26,29,37H,10-11,16H2,1-4H3/t26-,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539055
(CHEMBL4633038)Show SMILES COc1cc(cc(OC2CCC2)n1)[C@](O)(CCN(C)C)[C@H](c1ccnc(OC)c1OC)c1cc2cc(Br)ccc2nc1OC |r| Show InChI InChI=1S/C33H39BrN4O6/c1-38(2)15-13-33(39,21-18-27(40-3)37-28(19-21)44-23-8-7-9-23)29(24-12-14-35-32(43-6)30(24)41-4)25-17-20-16-22(34)10-11-26(20)36-31(25)42-5/h10-12,14,16-19,23,29,39H,7-9,13,15H2,1-6H3/t29-,33-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539053
(CHEMBL4643771)Show SMILES CCCOc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(C)c1)c1cc2cc(Br)ccc2nc1OC |r| Show InChI InChI=1S/C32H38BrN3O4/c1-7-15-40-29-20-24(19-28(35-29)38-5)32(37,13-14-36(3)4)30(22-10-8-9-21(2)16-22)26-18-23-17-25(33)11-12-27(23)34-31(26)39-6/h8-12,16-20,30,37H,7,13-15H2,1-6H3/t30-,32-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539052
(CHEMBL4634438)Show SMILES COc1cc(cc(OC(C)C)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(C)c1)c1cc2cc(Br)ccc2nc1OC |r| Show InChI InChI=1S/C32H38BrN3O4/c1-20(2)40-29-19-24(18-28(35-29)38-6)32(37,13-14-36(4)5)30(22-10-8-9-21(3)15-22)26-17-23-16-25(33)11-12-27(23)34-31(26)39-7/h8-12,15-20,30,37H,13-14H2,1-7H3/t30-,32-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539079
(CHEMBL4638967)Show SMILES CCSc1cc(cc(SCC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(C)c1F)c1cc2cc(ccc2nc1OC)C#N |r| Show InChI InChI=1S/C33H37FN4O2S2/c1-7-41-28-18-24(19-29(37-28)42-8-2)33(39,14-15-38(4)5)30(25-11-9-10-21(3)31(25)34)26-17-23-16-22(20-35)12-13-27(23)36-32(26)40-6/h9-13,16-19,30,39H,7-8,14-15H2,1-6H3/t30-,33-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539080
(CHEMBL4647766)Show SMILES CCSc1cc(cc(SCC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc2OCOc12)c1cc2cc(Br)ccc2nc1OC |r| Show InChI InChI=1S/C32H36BrN3O4S2/c1-6-41-27-17-21(18-28(35-27)42-7-2)32(37,13-14-36(3)4)29(23-9-8-10-26-30(23)40-19-39-26)24-16-20-15-22(33)11-12-25(20)34-31(24)38-5/h8-12,15-18,29,37H,6-7,13-14,19H2,1-5H3/t29-,32-/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539048
(CHEMBL4639462)Show SMILES CCOc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(C)c1)c1cc2cc(Br)ccc2nc1OC |r| Show InChI InChI=1S/C31H36BrN3O4/c1-7-39-28-19-23(18-27(34-28)37-5)31(36,13-14-35(3)4)29(21-10-8-9-20(2)15-21)25-17-22-16-24(32)11-12-26(22)33-30(25)38-6/h8-12,15-19,29,36H,7,13-14H2,1-6H3/t29-,31-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539081
(CHEMBL4647741)Show SMILES CCSc1cc(cc(SCC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc2OCOc12)c1cc2cc(ccc2nc1OC)C#N |r| Show InChI InChI=1S/C33H36N4O4S2/c1-6-42-28-17-23(18-29(36-28)43-7-2)33(38,13-14-37(3)4)30(24-9-8-10-27-31(24)41-20-40-27)25-16-22-15-21(19-34)11-12-26(22)35-32(25)39-5/h8-12,15-18,30,38H,6-7,13-14,20H2,1-5H3/t30-,33-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539074
(CHEMBL4633704)Show SMILES COc1nc2ccc(cc2cc1[C@@H](c1cccc(C)c1F)[C@@](O)(CCN(C)C)c1cc(SC)nc(SC)c1)C#N |r| Show InChI InChI=1S/C31H33FN4O2S2/c1-19-8-7-9-23(29(19)32)28(24-15-21-14-20(18-33)10-11-25(21)34-30(24)38-4)31(37,12-13-36(2)3)22-16-26(39-5)35-27(17-22)40-6/h7-11,14-17,28,37H,12-13H2,1-6H3/t28-,31-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539083
(CHEMBL4642509)Show SMILES CCSc1cc(cc(n1)N(C)C)[C@](O)(CCN(C)C)[C@@H](c1cc2cc(Br)ccc2nc1OC)c1ccnc(OC)c1OC |r| Show InChI InChI=1S/C32H40BrN5O4S/c1-9-43-27-19-21(18-26(36-27)38(4)5)32(39,13-15-37(2)3)28(23-12-14-34-31(42-8)29(23)40-6)24-17-20-16-22(33)10-11-25(20)35-30(24)41-7/h10-12,14,16-19,28,39H,9,13,15H2,1-8H3/t28-,32-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50537220
(CHEMBL4529465)Show SMILES COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1F)c1cc2cc(Br)ccc2nc1OC |r| Show InChI InChI=1S/C30H33BrFN3O5/c1-35(2)13-12-30(36,19-16-25(38-4)34-26(17-19)39-5)27(21-8-7-9-24(37-3)28(21)32)22-15-18-14-20(31)10-11-23(18)33-29(22)40-6/h7-11,14-17,27,36H,12-13H2,1-6H3/t27-,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539051
(CHEMBL4640836)Show SMILES COc1cc(cc(OC(C)C)n1)[C@](O)(CCN(C)C)[C@@H](c1cc2cc(Br)ccc2nc1OC)c1ccnc(OC)c1OC |r| Show InChI InChI=1S/C32H39BrN4O6/c1-19(2)43-27-18-21(17-26(36-27)39-5)32(38,12-14-37(3)4)28(23-11-13-34-31(42-8)29(23)40-6)24-16-20-15-22(33)9-10-25(20)35-30(24)41-7/h9-11,13,15-19,28,38H,12,14H2,1-8H3/t28-,32-/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 | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539063
(CHEMBL4643476)Show SMILES COc1cc(cc(SC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1F)c1cc2cc(Br)ccc2nc1OC |r| Show InChI InChI=1S/C30H33BrFN3O4S/c1-35(2)13-12-30(36,19-16-25(38-4)34-26(17-19)40-6)27(21-8-7-9-24(37-3)28(21)32)22-15-18-14-20(31)10-11-23(18)33-29(22)39-5/h7-11,14-17,27,36H,12-13H2,1-6H3/t27-,30-/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 |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539059
(CHEMBL4639824)Show SMILES COc1cc(cc(OC(F)F)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1F)c1cc2cc(Br)ccc2nc1OC |r| Show InChI InChI=1S/C30H31BrF3N3O5/c1-37(2)12-11-30(38,18-15-24(40-4)36-25(16-18)42-29(33)34)26(20-7-6-8-23(39-3)27(20)32)21-14-17-13-19(31)9-10-22(17)35-28(21)41-5/h6-10,13-16,26,29,38H,11-12H2,1-5H3/t26-,30-/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 |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539058
(CHEMBL4639550)Show SMILES COc1cc(cc(OC(F)F)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(C)c1F)c1cc2cc(ccc2nc1OC)C#N |r| Show InChI InChI=1S/C31H31F3N4O4/c1-18-7-6-8-22(28(18)32)27(23-14-20-13-19(17-35)9-10-24(20)36-29(23)41-5)31(39,11-12-38(2)3)21-15-25(40-4)37-26(16-21)42-30(33)34/h6-10,13-16,27,30,39H,11-12H2,1-5H3/t27-,31-/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 |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539050
(CHEMBL4634170)Show SMILES COc1cc(cc(OC(C)C)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1F)c1cc2cc(Br)ccc2nc1OC |r| Show InChI InChI=1S/C32H37BrFN3O5/c1-19(2)42-28-18-21(17-27(36-28)40-6)32(38,13-14-37(3)4)29(23-9-8-10-26(39-5)30(23)34)24-16-20-15-22(33)11-12-25(20)35-31(24)41-7/h8-12,15-19,29,38H,13-14H2,1-7H3/t29-,32-/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 |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539047
(CHEMBL4641813)Show SMILES CCOc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1F)c1cc2cc(Br)ccc2nc1OC |r| Show InChI InChI=1S/C31H35BrFN3O5/c1-7-41-27-18-20(17-26(35-27)39-5)31(37,13-14-36(2)3)28(22-9-8-10-25(38-4)29(22)33)23-16-19-15-21(32)11-12-24(19)34-30(23)40-6/h8-12,15-18,28,37H,7,13-14H2,1-6H3/t28-,31-/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 |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50537234
(CHEMBL4553146)Show SMILES COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@@H](c1cc2cc(Br)ccc2nc1OC)c1cc(OC)nc(OC)c1OC |r| Show InChI InChI=1S/C31H37BrN4O7/c1-36(2)12-11-31(37,19-15-24(38-3)34-25(16-19)39-4)27(21-17-26(40-5)35-30(43-8)28(21)41-6)22-14-18-13-20(32)9-10-23(18)33-29(22)42-7/h9-10,13-17,27,37H,11-12H2,1-8H3/t27-,31-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539075
(CHEMBL4634386)Show SMILES CCSc1cc(cc(SCC)n1)[C@](O)(CCN(C)C)[C@H](c1ccccc1)c1cc2cc(Br)ccc2nc1OC |r| Show InChI InChI=1S/C31H36BrN3O2S2/c1-6-38-27-19-23(20-28(34-27)39-7-2)31(36,15-16-35(3)4)29(21-11-9-8-10-12-21)25-18-22-17-24(32)13-14-26(22)33-30(25)37-5/h8-14,17-20,29,36H,6-7,15-16H2,1-5H3/t29-,31-/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 |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3 |
More data for this
Ligand-Target Pair | |
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