Found 14888 hits of ic50 for UniProtKB: Q12809 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50327248
(CHEMBL1257821 | endo-3-(8-(4-methylbenzyl)-8-azabi...)Show SMILES Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)cc1 |r,TLB:5:6:12.11.13:9.8| Show InChI InChI=1S/C22H26N2O2/c1-15-5-7-16(8-6-15)14-24-18-9-10-19(24)13-21(12-18)26-20-4-2-3-17(11-20)22(23)25/h2-8,11,18-19,21H,9-10,12-14H2,1H3,(H2,23,25)/t18-,19+,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113
BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50327247
(CHEMBL1257820 | endo-3-(8-(3-phenylpropyl)-8-azabi...)Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CCCc2ccccc2)c1 |r,TLB:17:16:9.15.10:13.12| Show InChI InChI=1S/C23H28N2O2/c24-23(26)18-9-4-10-21(14-18)27-22-15-19-11-12-20(16-22)25(19)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,14,19-20,22H,5,8,11-13,15-16H2,(H2,24,26)/t19-,20+,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113
BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50327244
(3-Endo-(8-((5-methylthiophen-2-yl)methyl)-8-azabic...)Show SMILES Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)s1 |r,TLB:5:6:12.11.13:9.8| Show InChI InChI=1S/C20H24N2O2S/c1-13-5-8-19(25-13)12-22-15-6-7-16(22)11-18(10-15)24-17-4-2-3-14(9-17)20(21)23/h2-5,8-9,15-16,18H,6-7,10-12H2,1H3,(H2,21,23)/t15-,16+,18- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113
BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50327246
(CHEMBL1257698 | endo-3-(8-phenethyl-8-azabicyclo[3...)Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)c1 |r,TLB:17:16:9.15.10:13.12| Show InChI InChI=1S/C22H26N2O2/c23-22(25)17-7-4-8-20(13-17)26-21-14-18-9-10-19(15-21)24(18)12-11-16-5-2-1-3-6-16/h1-8,13,18-19,21H,9-12,14-15H2,(H2,23,25)/t18-,19+,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.380 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113
BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082445
(CHEMBL3422978)Show SMILES FC(F)(F)c1cnc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2c1 |(-5.09,-.93,;-4.02,-1.54,;-4.02,-2.78,;-5.09,-2.16,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,)| Show InChI InChI=1S/C26H26F3N5O3/c27-26(28,29)17-11-19-22(31-12-17)16(4-10-30-19)3-5-25-8-6-24(7-9-25,15-37-25)32-13-18-1-2-20-23(33-18)34-21(35)14-36-20/h1-2,4,10-12,32H,3,5-9,13-15H2,(H,33,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.390 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50321777
((R)-1'-benzyl-6-methoxy-1-phenyl-1,6-dihydrospiro[...)Show SMILES CO[C@@H]1OC2(CCN(Cc3ccccc3)CC2)c2cnn(c12)-c1ccccc1 |r| Show InChI InChI=1S/C23H25N3O2/c1-27-22-21-20(16-24-26(21)19-10-6-3-7-11-19)23(28-22)12-14-25(15-13-23)17-18-8-4-2-5-9-18/h2-11,16,22H,12-15,17H2,1H3/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
Westf£lische Wilhelms-Universit£t M£nster
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel |
Bioorg Med Chem 16: 2992-3001 (2008)
Article DOI: 10.1016/j.bmc.2007.12.045
BindingDB Entry DOI: 10.7270/Q2N017CQ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50327243
(CHEMBL1257577 | endo-3-(8-(thiophen-2-ylmethyl)-8-...)Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2cccs2)c1 |r,TLB:17:16:9.15.10:13.12| Show InChI InChI=1S/C19H22N2O2S/c20-19(22)13-3-1-4-16(9-13)23-17-10-14-6-7-15(11-17)21(14)12-18-5-2-8-24-18/h1-5,8-9,14-15,17H,6-7,10-12H2,(H2,20,22)/t14-,15+,17- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113
BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM396904
(US9981950, Example 113B)Show InChI InChI=1S/C13H11F3N6/c14-11-2-1-9(5-10(11)12(15)16)22-7-8(19-20-22)6-21-4-3-18-13(21)17/h1-5,7,12H,6H2,(H2,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
| Assay Description
TBD |
Bioorg Med Chem Lett 18: 3168-72 (2008)
BindingDB Entry DOI: 10.7270/Q2JW8H7X |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM396904
(US9981950, Example 113B)Show InChI InChI=1S/C13H11F3N6/c14-11-2-1-9(5-10(11)12(15)16)22-7-8(19-20-22)6-21-4-3-18-13(21)17/h1-5,7,12H,6H2,(H2,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a |
Anadys Pharmaceuticals
| Assay Description
Cells were split 2-3 times weekly between 1:3 and 1:4. For binding assays and membrane preparations the cell culture medium was removed, cells were w... |
Bioorg Med Chem Lett 19: 451-8 (2009)
BindingDB Entry DOI: 10.7270/Q2TH8Q1D |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM396905
(US9981950, Example 114)Show InChI InChI=1S/C14H13F3N6/c1-14(16,17)11-6-10(2-3-12(11)15)23-8-9(20-21-23)7-22-5-4-19-13(22)18/h2-6,8H,7H2,1H3,(H2,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a |
Anadys Pharmaceuticals
| Assay Description
Cells were split 2-3 times weekly between 1:3 and 1:4. For binding assays and membrane preparations the cell culture medium was removed, cells were w... |
Bioorg Med Chem Lett 19: 451-8 (2009)
BindingDB Entry DOI: 10.7270/Q2TH8Q1D |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM398608
(US10323021, Example 114)Show InChI InChI=1S/C14H13ClF2N6/c1-14(16,17)11-6-10(2-3-12(11)15)23-8-9(20-21-23)7-22-5-4-19-13(22)18/h2-6,8H,7H2,1H3,(H2,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
| Assay Description
TBD |
Bioorg Med Chem Lett 18: 3168-72 (2008)
BindingDB Entry DOI: 10.7270/Q2JW8H7X |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM396901
(US9981950, Example 110)Show InChI InChI=1S/C13H11ClF2N6O/c14-10-2-1-9(5-11(10)23-12(15)16)22-7-8(19-20-22)6-21-4-3-18-13(21)17/h1-5,7,12H,6H2,(H2,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.520 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
| Assay Description
TBD |
Bioorg Med Chem Lett 18: 3168-72 (2008)
BindingDB Entry DOI: 10.7270/Q2JW8H7X |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM396901
(US9981950, Example 110)Show InChI InChI=1S/C13H11ClF2N6O/c14-10-2-1-9(5-11(10)23-12(15)16)22-7-8(19-20-22)6-21-4-3-18-13(21)17/h1-5,7,12H,6H2,(H2,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.520 | n/a | n/a | n/a | n/a | n/a | n/a |
Anadys Pharmaceuticals
| Assay Description
Cells were split 2-3 times weekly between 1:3 and 1:4. For binding assays and membrane preparations the cell culture medium was removed, cells were w... |
Bioorg Med Chem Lett 19: 451-8 (2009)
BindingDB Entry DOI: 10.7270/Q2TH8Q1D |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50327249
(CHEMBL1257937 | endo-3-(8-(3-methylbenzyl)-8-azabi...)Show SMILES Cc1cccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)c1 |r,TLB:6:7:13.12.14:10.9| Show InChI InChI=1S/C22H26N2O2/c1-15-4-2-5-16(10-15)14-24-18-8-9-19(24)13-21(12-18)26-20-7-3-6-17(11-20)22(23)25/h2-7,10-11,18-19,21H,8-9,12-14H2,1H3,(H2,23,25)/t18-,19+,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.520 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113
BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50325855
(CHEMBL1223951 | exo-3-((1R,3s,5S)-8-benzyl-8-azabi...)Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12| Show InChI InChI=1S/C21H24N2O2/c22-21(24)16-7-4-8-19(11-16)25-20-12-17-9-10-18(13-20)23(17)14-15-5-2-1-3-6-15/h1-8,11,17-18,20H,9-10,12-14H2,(H2,22,24)/t17-,18+,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.610 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113
BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50327256
(CHEMBL1258280 | endo-3-(8-(benzo[d][1,3]dioxol-5-y...)Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccc3OCOc3c2)c1 |r,TLB:17:16:9.15.10:13.12| Show InChI InChI=1S/C22H24N2O4/c23-22(25)15-2-1-3-18(9-15)28-19-10-16-5-6-17(11-19)24(16)12-14-4-7-20-21(8-14)27-13-26-20/h1-4,7-9,16-17,19H,5-6,10-13H2,(H2,23,25)/t16-,17+,19- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.620 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113
BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50327250
(CHEMBL1257938 | endo-3-(8-(2-methylbenzyl)-8-azabi...)Show SMILES Cc1ccccc1CN1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O |r,TLB:7:8:14.13.15:11.10| Show InChI InChI=1S/C22H26N2O2/c1-15-5-2-3-6-17(15)14-24-18-9-10-19(24)13-21(12-18)26-20-8-4-7-16(11-20)22(23)25/h2-8,11,18-19,21H,9-10,12-14H2,1H3,(H2,23,25)/t18-,19+,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.620 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113
BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM396903
(US9981950, Example 113A)Show InChI InChI=1S/C13H11ClF2N6/c14-11-2-1-9(5-10(11)12(15)16)22-7-8(19-20-22)6-21-4-3-18-13(21)17/h1-5,7,12H,6H2,(H2,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
Anadys Pharmaceuticals
| Assay Description
Cells were split 2-3 times weekly between 1:3 and 1:4. For binding assays and membrane preparations the cell culture medium was removed, cells were w... |
Bioorg Med Chem Lett 19: 451-8 (2009)
BindingDB Entry DOI: 10.7270/Q2TH8Q1D |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM396903
(US9981950, Example 113A)Show InChI InChI=1S/C13H11ClF2N6/c14-11-2-1-9(5-10(11)12(15)16)22-7-8(19-20-22)6-21-4-3-18-13(21)17/h1-5,7,12H,6H2,(H2,17,18) | PDB
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UniChem
| US Patent
| n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
| Assay Description
TBD |
Bioorg Med Chem Lett 18: 3168-72 (2008)
BindingDB Entry DOI: 10.7270/Q2JW8H7X |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50375351
(CHEMBL259732)Show SMILES CCCCN1CCC2(CC1)OC(OC)c1c2cnn1-c1ccccc1 |w:11.12| Show InChI InChI=1S/C20H27N3O2/c1-3-4-12-22-13-10-20(11-14-22)17-15-21-23(16-8-6-5-7-9-16)18(17)19(24-2)25-20/h5-9,15,19H,3-4,10-14H2,1-2H3 | PDB
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| n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
Westf£lische Wilhelms-Universit£t M£nster
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel |
Bioorg Med Chem 16: 2992-3001 (2008)
Article DOI: 10.1016/j.bmc.2007.12.045
BindingDB Entry DOI: 10.7270/Q2N017CQ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50333594
(4-(Naphthalen-2-ylmethoxy)-1-{4-[2-(pyrrolidin-1-y...)Show SMILES O=c1cc(OCc2ccc3ccccc3c2)ccn1-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C28H28N2O3/c31-28-20-27(33-21-22-7-8-23-5-1-2-6-24(23)19-22)13-16-30(28)25-9-11-26(12-10-25)32-18-17-29-14-3-4-15-29/h1-2,5-13,16,19-20H,3-4,14-15,17-18,21H2 | PDB
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| n/a | n/a | 0.670 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes... |
Bioorg Med Chem 19: 883-93 (2011)
Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM300972
(5-((6S,8R)-1- fluoro-8- methyl-7- (2,2,2- trifluor...)Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)F)c1cnc(NC2CN(CCCF)C2)cn1 |r| | PDB
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| US Patent
| n/a | n/a | 0.690 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca AB
US Patent
| Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl... |
US Patent US10590130 (2020)
BindingDB Entry DOI: 10.7270/Q28S4SX5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50327264
(CHEMBL1258503 | endo-3-(8-(2-oxo-2-(phenylamino)et...)Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC(=O)Nc2ccccc2)c1 |r,TLB:17:16:9.15.10:13.12| Show InChI InChI=1S/C22H25N3O3/c23-22(27)15-5-4-8-19(11-15)28-20-12-17-9-10-18(13-20)25(17)14-21(26)24-16-6-2-1-3-7-16/h1-8,11,17-18,20H,9-10,12-14H2,(H2,23,27)(H,24,26)/t17-,18+,20- | PDB
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| n/a | n/a | 0.720 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113
BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082380
(CHEMBL3422952)Show SMILES COc1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c(F)cnc2cc1F |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;2.67,.77,;3.74,1.39,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-3.75,-1.39,)| Show InChI InChI=1S/C26H27F2N5O4/c1-35-24-17(27)10-19-22(33-24)16(18(28)12-29-19)4-5-26-8-6-25(7-9-26,14-37-26)30-11-15-2-3-20-23(31-15)32-21(34)13-36-20/h2-3,10,12,30H,4-9,11,13-14H2,1H3,(H,31,32,34) | PDB
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| n/a | n/a | 0.730 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50391763
(CHEMBL2146867)Show SMILES CC1CN(CCc2ccc(cc2)[N+]([O-])=O)CCN1CCc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H26N4O4/c1-17-16-22(12-10-18-2-6-20(7-3-18)24(26)27)14-15-23(17)13-11-19-4-8-21(9-5-19)25(28)29/h2-9,17H,10-16H2,1H3 | PDB
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| n/a | n/a | 0.760 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG |
ACS Med Chem Lett 3: 367-372 (2012)
Article DOI: 10.1021/ml3000066
BindingDB Entry DOI: 10.7270/Q2MK6DZV |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50333604
(1-(4-{2-[Benzyl(methyl)amino]ethoxy}phenyl)-4-(ben...)Show SMILES CN(CCOc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O)Cc1ccccc1 Show InChI InChI=1S/C28H28N2O3/c1-29(21-23-8-4-2-5-9-23)18-19-32-26-14-12-25(13-15-26)30-17-16-27(20-28(30)31)33-22-24-10-6-3-7-11-24/h2-17,20H,18-19,21-22H2,1H3 | PDB
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| n/a | n/a | 0.810 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes... |
Bioorg Med Chem 19: 883-93 (2011)
Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM300961
(1-(3-Fluoropropyl)-N-(4-((6R,8R)-8-methyl-7-(2,2,2...)Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cc1 |r,$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;$| | PDB
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UniChem
| US Patent
| n/a | n/a | 0.810 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca AB
US Patent
| Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl... |
US Patent US10590130 (2020)
BindingDB Entry DOI: 10.7270/Q28S4SX5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082429
(CHEMBL3422970)Show SMILES Cc1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2cc1C#N |(-3.75,1.39,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-4.02,-1.54,;-5.09,-2.16,)| Show InChI InChI=1S/C27H28N6O3/c1-17-19(13-28)12-21-24(31-17)18(5-11-29-21)4-6-27-9-7-26(8-10-27,16-36-27)30-14-20-2-3-22-25(32-20)33-23(34)15-35-22/h2-3,5,11-12,30H,4,6-10,14-16H2,1H3,(H,32,33,34) | PDB
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| n/a | n/a | 0.870 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM436275
(2,2-difluoro-3- ((6S,8R)-1- fluoro-6-(5- ((1-(3- f...)Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)CO)c1ccc(OC2CN(CCCF)C2)cn1 |r| | PDB
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| US Patent
| n/a | n/a | 0.880 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca AB
US Patent
| Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl... |
US Patent US10590130 (2020)
BindingDB Entry DOI: 10.7270/Q28S4SX5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082385
(CHEMBL3422959)Show SMILES Fc1cnc2cc(cnc2c1CCC12CCC(CC1)(CO2)NCc1ccc2OCC(=O)Nc2n1)C(F)(F)F Show InChI InChI=1S/C26H25F4N5O3/c27-18-12-31-19-9-15(26(28,29)30)10-32-22(19)17(18)3-4-25-7-5-24(6-8-25,14-38-25)33-11-16-1-2-20-23(34-16)35-21(36)13-37-20/h1-2,9-10,12,33H,3-8,11,13-14H2,(H,34,35,36) | PDB
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| n/a | n/a | 0.890 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM24226
(1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxypheny...)Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31) | PDB
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| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
K+ channel blocking activity in human embryonic kidney cells expressing HERG Kv11.1 |
J Med Chem 45: 3844-53 (2002)
BindingDB Entry DOI: 10.7270/Q2NC61X3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM24226
(1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxypheny...)Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31) | PDB
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| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Predix Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of hERG potassium channel in HEK293 cells by patch clamp assay |
J Med Chem 49: 3116-35 (2006)
Article DOI: 10.1021/jm0508641
BindingDB Entry DOI: 10.7270/Q2319VHC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM24226
(1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxypheny...)Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31) | PDB
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Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against Potassium channel HERG |
J Med Chem 46: 2017-22 (2003)
Article DOI: 10.1021/jm0205651
BindingDB Entry DOI: 10.7270/Q2XD12C8 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM24226
(1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxypheny...)Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31) | PDB
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| n/a | n/a | 0.910 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human voltage-gated potassium channel subunit Kv11.1 (ERG K+ channel) in open state |
Bioorg Med Chem Lett 15: 1737-41 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.008
BindingDB Entry DOI: 10.7270/Q2FT8NCR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM24226
(1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxypheny...)Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31) | PDB
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CASMedChem Laboratory
Curated by ChEMBL
| Assay Description
Inhibition of human ERG in MCF7 cells |
Eur J Med Chem 44: 1926-32 (2009)
Article DOI: 10.1016/j.ejmech.2008.11.009
BindingDB Entry DOI: 10.7270/Q2TM7CCD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM300973
(2-fluoro-6- ((6S,8R)-1- fluoro-8- methyl-7- (2,2,2...)Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)c(F)n1 |r| | PDB
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| US Patent
| n/a | n/a | 0.940 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca AB
US Patent
| Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl... |
US Patent US10590130 (2020)
BindingDB Entry DOI: 10.7270/Q28S4SX5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50279579
(CHEMBL4171244)Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N3[C@H](CN4CCN(C)CC4)CCC3=O)c3ccccc3)C(=O)Nc2c1 |r| Show InChI InChI=1S/C33H35N5O4/c1-36-16-18-37(19-17-36)21-26-13-15-29(39)38(26)25-11-9-24(10-12-25)34-31(22-6-4-3-5-7-22)30-27-14-8-23(33(41)42-2)20-28(27)35-32(30)40/h3-12,14,20,26,34H,13,15-19,21H2,1-2H3,(H,35,40)/b31-30-/t26-/m0/s1 | PDB
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| n/a | n/a | 0.950 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
ACS Med Chem Lett 8: 1142-1147 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00164
BindingDB Entry DOI: 10.7270/Q2TM7DND |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50327268
(CHEMBL1258725 | endo-3-(8-(1,2,3,4-tetrahydronapht...)Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3C2CCCc3ccccc23)c1 |r,TLB:17:16:9.15.10:13.12| Show InChI InChI=1S/C24H28N2O2/c25-24(27)17-7-3-8-20(13-17)28-21-14-18-11-12-19(15-21)26(18)23-10-4-6-16-5-1-2-9-22(16)23/h1-3,5,7-9,13,18-19,21,23H,4,6,10-12,14-15H2,(H2,25,27)/t18-,19+,21-,23? | PDB
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AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113
BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082440
(CHEMBL3422977)Show SMILES FC(F)(F)c1ccc2nccc(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |(-5.09,.93,;-4.02,1.54,;-4.02,2.78,;-5.09,2.16,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,)| Show InChI InChI=1S/C26H26F3N5O3/c27-26(28,29)20-4-2-18-22(33-20)16(6-12-30-18)5-7-25-10-8-24(9-11-25,15-37-25)31-13-17-1-3-19-23(32-17)34-21(35)14-36-19/h1-4,6,12,31H,5,7-11,13-15H2,(H,32,34,35) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50531908
(Btrx-335140 | CYM-53093 | US10676469, Compound 142...)Show SMILES CCc1cc(F)c2nc(N3CCC(CC3)NC3CCOCC3)c(-c3nc(C)no3)c(C)c2c1 Show InChI InChI=1S/C25H32FN5O2/c1-4-17-13-20-15(2)22(25-27-16(3)30-33-25)24(29-23(20)21(26)14-17)31-9-5-18(6-10-31)28-19-7-11-32-12-8-19/h13-14,18-19,28H,4-12H2,1-3H3 | PDB
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The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at 10 uM by Qpatch clamp assay |
J Med Chem 62: 1761-1780 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01679
BindingDB Entry DOI: 10.7270/Q2CV4N6Q |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM300996
(2,2-difluoro-3- ((6S,8R)-1- fluoro-6-(6- fluoro-5-...)Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)CO)c1ccc(NC2CN(CCCF)C2)c(F)n1 |r| | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca AB
US Patent
| Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl... |
US Patent US10590130 (2020)
BindingDB Entry DOI: 10.7270/Q28S4SX5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50131433
(4-(2-(4-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-...)Show SMILES Oc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 Show InChI InChI=1S/C27H29FN4O/c28-22-9-5-21(6-10-22)19-32-26-4-2-1-3-25(26)30-27(32)29-23-14-17-31(18-15-23)16-13-20-7-11-24(33)12-8-20/h1-12,23,33H,13-19H2,(H,29,30) | PDB
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Hoffmann-La Roche
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by whole cell patch clamp technique |
Bioorg Med Chem 16: 6252-60 (2008)
Article DOI: 10.1016/j.bmc.2008.04.028
BindingDB Entry DOI: 10.7270/Q25D8T25 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50131433
(4-(2-(4-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-...)Show SMILES Oc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 Show InChI InChI=1S/C27H29FN4O/c28-22-9-5-21(6-10-22)19-32-26-4-2-1-3-25(26)30-27(32)29-23-14-17-31(18-15-23)16-13-20-7-11-24(33)12-8-20/h1-12,23,33H,13-19H2,(H,29,30) | PDB
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Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel in HEK293 cells by voltage-clamp method |
Eur J Med Chem 43: 2479-88 (2008)
Article DOI: 10.1016/j.ejmech.2007.12.025
BindingDB Entry DOI: 10.7270/Q2542PTB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50131433
(4-(2-(4-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-...)Show SMILES Oc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 Show InChI InChI=1S/C27H29FN4O/c28-22-9-5-21(6-10-22)19-32-26-4-2-1-3-25(26)30-27(32)29-23-14-17-31(18-15-23)16-13-20-7-11-24(33)12-8-20/h1-12,23,33H,13-19H2,(H,29,30) | PDB
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Gedeon Richter Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human Potassium channel HERG expressed in mammalian cells |
Bioorg Med Chem Lett 13: 2773-5 (2003)
BindingDB Entry DOI: 10.7270/Q2QZ2BGZ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50518511
(CHEMBL4457529)Show SMILES COCC(C)(C)C#Cc1c(Cl)c2c(Cl)cc(nc2n1[C@H]1CCCNC1)C(N)=O |r| Show InChI InChI=1S/C20H24Cl2N4O2/c1-20(2,11-28-3)7-6-15-17(22)16-13(21)9-14(18(23)27)25-19(16)26(15)12-5-4-8-24-10-12/h9,12,24H,4-5,8,10-11H2,1-3H3,(H2,23,27)/t12-/m0/s1 | PDB
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| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 29: 491-495 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.015
BindingDB Entry DOI: 10.7270/Q21V5J93 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082435
(CHEMBL3422976)Show SMILES CN(C)c1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2cc1F |(-4.02,2.78,;-4.02,1.54,;-5.09,.93,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-3.75,-1.39,)| Show InChI InChI=1S/C27H31FN6O3/c1-34(2)25-19(28)13-20-23(33-25)17(6-12-29-20)5-7-27-10-8-26(9-11-27,16-37-27)30-14-18-3-4-21-24(31-18)32-22(35)15-36-21/h3-4,6,12-13,30H,5,7-11,14-16H2,1-2H3,(H,31,32,35) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM300981
(6-((6S,8R)-7- (2,2- difluoroethyl)- 8-methyl- 6,7,...)Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(NC2CN(CCCF)C2)c(F)n1 |r| | PDB
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| US Patent
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca AB
US Patent
| Assay Description
hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl... |
US Patent US10590130 (2020)
BindingDB Entry DOI: 10.7270/Q28S4SX5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50333616
(4-[(4-Methoxybenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)...)Show SMILES COc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1 Show InChI InChI=1S/C25H28N2O4/c1-29-22-8-4-20(5-9-22)19-31-24-12-15-27(25(28)18-24)21-6-10-23(11-7-21)30-17-16-26-13-2-3-14-26/h4-12,15,18H,2-3,13-14,16-17,19H2,1H3 | PDB
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Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes... |
Bioorg Med Chem 19: 883-93 (2011)
Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082382
(CHEMBL3422954)Show SMILES CCOc1cc(C)c2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |(-5.09,3.71,;-4.02,3.09,;-4.02,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;-1.33,-2.77,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;3.74,1.39,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.05,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,)| Show InChI InChI=1S/C28H32FN5O4/c1-3-36-23-12-17(2)24-25(34-23)19(20(29)14-30-24)6-7-28-10-8-27(9-11-28,16-38-28)31-13-18-4-5-21-26(32-18)33-22(35)15-37-21/h4-5,12,14,31H,3,6-11,13,15-16H2,1-2H3,(H,32,33,35) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50117930
((4-{1-[2-(6-Methyl-pyridin-2-yl)-ethyl]-piperidine...)Show SMILES Cc1cccc(CCN2CCC(CC2)C(=O)c2ccc(NS(C)(=O)=O)cc2)n1 Show InChI InChI=1S/C21H27N3O3S/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27/h3-9,18,23H,10-15H2,1-2H3 | PDB
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Korea Advanced Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by fluorescently labeled tracer binding method |
J Med Chem 60: 9205-9221 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01039
BindingDB Entry DOI: 10.7270/Q26D5WF3 |
More data for this
Ligand-Target Pair | |
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