Found 41 hits with Last Name = 'gozzi' and Initial = 'a' 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)) | BDBM50411390
(CHEMBL397222)Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(Cl)c(Cl)c4)n3C)CCc2c1 Show InChI InChI=1S/C26H27Cl2N5OS/c1-17-14-24(31-34-17)20-5-4-18-8-11-33(12-9-19(18)15-20)10-3-13-35-26-30-29-25(32(26)2)21-6-7-22(27)23(28)16-21/h4-7,14-16H,3,8-13H2,1-2H3 | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411385
(CHEMBL243896)Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(cc4)C#N)n3C)CCc2c1 Show InChI InChI=1S/C27H28N6OS/c1-19-16-25(31-34-19)24-9-8-21-10-13-33(14-11-23(21)17-24)12-3-15-35-27-30-29-26(32(27)2)22-6-4-20(18-28)5-7-22/h4-9,16-17H,3,10-15H2,1-2H3 | 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 | 19.9 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411382
(CHEMBL395742)Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(C)cc4)n3C)CCc2c1 Show InChI InChI=1S/C27H31N5OS/c1-19-5-7-22(8-6-19)26-28-29-27(31(26)3)34-16-4-13-32-14-11-21-9-10-24(18-23(21)12-15-32)25-17-20(2)33-30-25/h5-10,17-18H,4,11-16H2,1-3H3 | 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 | 25.1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411387
(CHEMBL244279)Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(Cl)cc4)n3C)CCc2c1 Show InChI InChI=1S/C26H28ClN5OS/c1-18-16-24(30-33-18)22-5-4-19-10-13-32(14-11-21(19)17-22)12-3-15-34-26-29-28-25(31(26)2)20-6-8-23(27)9-7-20/h4-9,16-17H,3,10-15H2,1-2H3 | 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 | 25.1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411392
(CHEMBL390649)Show SMILES Cc1cc(-c2ccc3CCN(CCCSc4nnc(-c5ccc(cc5)C(F)(F)F)n4C)CCc3c2)n(C)n1 Show InChI InChI=1S/C28H31F3N6S/c1-19-17-25(36(3)34-19)23-6-5-20-11-14-37(15-12-22(20)18-23)13-4-16-38-27-33-32-26(35(27)2)21-7-9-24(10-8-21)28(29,30)31/h5-10,17-18H,4,11-16H2,1-3H3 | 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 | 31.6 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411394
(CHEMBL244276)Show SMILES Cc1cnc(o1)-c1ccc2CCN(CCCSc3nnc(-c4ccc5[nH]ccc5c4)n3C)CCc2c1 Show InChI InChI=1S/C28H30N6OS/c1-19-18-30-27(35-19)24-5-4-20-9-13-34(14-10-21(20)16-24)12-3-15-36-28-32-31-26(33(28)2)23-6-7-25-22(17-23)8-11-29-25/h4-8,11,16-18,29H,3,9-10,12-15H2,1-2H3 | 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 | 39.8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411367
(CHEMBL242600)Show SMILES COc1ccc(cc1)-c1nnc(SCCCN2CCc3ccc(cc3CC2)-c2cc(C)on2)n1C Show InChI InChI=1S/C27H31N5O2S/c1-19-17-25(30-34-19)23-6-5-20-11-14-32(15-12-22(20)18-23)13-4-16-35-27-29-28-26(31(27)2)21-7-9-24(33-3)10-8-21/h5-10,17-18H,4,11-16H2,1-3H3 | 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 | 39.8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411376
(CHEMBL390429)Show SMILES COc1ccccc1-c1nnc(SCCCN2CCc3ccc(cc3CC2)-c2cc(C)on2)n1C Show InChI InChI=1S/C27H31N5O2S/c1-19-17-24(30-34-19)22-10-9-20-11-14-32(15-12-21(20)18-22)13-6-16-35-27-29-28-26(31(27)2)23-7-4-5-8-25(23)33-3/h4-5,7-10,17-18H,6,11-16H2,1-3H3 | 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 | 39.8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411388
(CHEMBL397429)Show SMILES Cc1cnc(o1)-c1ccc2CCN(CCCSc3nnc(-c4cc5ccccc5[nH]4)n3C)CCc2c1 Show InChI InChI=1S/C28H30N6OS/c1-19-18-29-27(35-19)23-9-8-20-10-13-34(14-11-21(20)16-23)12-5-15-36-28-32-31-26(33(28)2)25-17-22-6-3-4-7-24(22)30-25/h3-4,6-9,16-18,30H,5,10-15H2,1-2H3 | 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 | 50.1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411383
(CHEMBL244087)Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccccc4Cl)n3C)CCc2c1 Show InChI InChI=1S/C26H28ClN5OS/c1-18-16-24(30-33-18)21-9-8-19-10-13-32(14-11-20(19)17-21)12-5-15-34-26-29-28-25(31(26)2)22-6-3-4-7-23(22)27/h3-4,6-9,16-17H,5,10-15H2,1-2H3 | 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 | 63.1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411369
(CHEMBL243897)Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(cc4)C(F)(F)F)n3C)CCc2c1 Show InChI InChI=1S/C27H28F3N5OS/c1-18-16-24(33-36-18)22-5-4-19-10-13-35(14-11-21(19)17-22)12-3-15-37-26-32-31-25(34(26)2)20-6-8-23(9-7-20)27(28,29)30/h4-9,16-17H,3,10-15H2,1-2H3 | 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 | 63.1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411396
(CHEMBL244278)Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4cccc(Cl)c4)n3C)CCc2c1 Show InChI InChI=1S/C26H28ClN5OS/c1-18-15-24(30-33-18)21-8-7-19-9-12-32(13-10-20(19)16-21)11-4-14-34-26-29-28-25(31(26)2)22-5-3-6-23(27)17-22/h3,5-8,15-17H,4,9-14H2,1-2H3 | 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 | 79.4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411373
(CHEMBL243860)Show SMILES CC1CCC(CC1)c1nnc(SCCCN2CCc3ccc(cc3CC2)-c2cc(C)on2)n1C |(16.41,-46.4,;15.16,-45.51,;13.75,-46.15,;12.5,-45.26,;12.65,-43.73,;14.04,-43.08,;15.3,-43.97,;11.39,-42.84,;11.37,-41.28,;9.91,-40.84,;9.02,-42.09,;7.48,-42.1,;6.7,-40.78,;5.16,-40.79,;4.38,-39.47,;2.84,-39.48,;2.16,-38.09,;.64,-37.76,;-.57,-38.74,;-1.9,-37.98,;-3.23,-38.75,;-3.23,-40.29,;-1.9,-41.06,;-.56,-40.29,;.67,-41.25,;2.18,-40.89,;-4.57,-41.06,;-5.96,-40.44,;-6.99,-41.58,;-8.51,-41.41,;-6.24,-42.93,;-4.73,-42.61,;9.94,-43.34,;9.48,-44.81,)| Show InChI InChI=1S/C27H37N5OS/c1-19-5-7-22(8-6-19)26-28-29-27(31(26)3)34-16-4-13-32-14-11-21-9-10-24(18-23(21)12-15-32)25-17-20(2)33-30-25/h9-10,17-19,22H,4-8,11-16H2,1-3H3 | 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 | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411379
(CHEMBL244086)Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4cccs4)n3C)CCc2c1 Show InChI InChI=1S/C24H27N5OS2/c1-17-15-21(27-30-17)20-7-6-18-8-11-29(12-9-19(18)16-20)10-4-14-32-24-26-25-23(28(24)2)22-5-3-13-31-22/h3,5-7,13,15-16H,4,8-12,14H2,1-2H3 | 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 | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411400
(CHEMBL244945)Show SMILES COc1ccc(cn1)-c1nnc(SCCCN2CCc3ccc(cc3CC2)-c2cc(C)on2)n1C Show InChI InChI=1S/C26H30N6O2S/c1-18-15-23(30-34-18)21-6-5-19-9-12-32(13-10-20(19)16-21)11-4-14-35-26-29-28-25(31(26)2)22-7-8-24(33-3)27-17-22/h5-8,15-17H,4,9-14H2,1-3H3 | 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 | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411399
(CHEMBL245118)Show SMILES Cc1cc(-c2ccc3CCN(CCCSc4nnc(-c5ccc(F)c(F)c5)n4C)CCc3c2)n(C)n1 Show InChI InChI=1S/C27H30F2N6S/c1-18-15-25(34(3)32-18)21-6-5-19-9-12-35(13-10-20(19)16-21)11-4-14-36-27-31-30-26(33(27)2)22-7-8-23(28)24(29)17-22/h5-8,15-17H,4,9-14H2,1-3H3 | 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 | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411377
(CHEMBL244280)Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4cccc(F)c4)n3C)CCc2c1 Show InChI InChI=1S/C26H28FN5OS/c1-18-15-24(30-33-18)21-8-7-19-9-12-32(13-10-20(19)16-21)11-4-14-34-26-29-28-25(31(26)2)22-5-3-6-23(27)17-22/h3,5-8,15-17H,4,9-14H2,1-2H3 | 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 | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411384
(CHEMBL243898)Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccccn4)n3C)CCc2c1 Show InChI InChI=1S/C25H28N6OS/c1-18-16-23(29-32-18)21-8-7-19-9-13-31(14-10-20(19)17-21)12-5-15-33-25-28-27-24(30(25)2)22-6-3-4-11-26-22/h3-4,6-8,11,16-17H,5,9-10,12-15H2,1-2H3 | 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 | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411381
(CHEMBL395743)Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4cccn4C)n3C)CCc2c1 Show InChI InChI=1S/C25H30N6OS/c1-18-16-22(28-32-18)21-8-7-19-9-13-31(14-10-20(19)17-21)12-5-15-33-25-27-26-24(30(25)3)23-6-4-11-29(23)2/h4,6-8,11,16-17H,5,9-10,12-15H2,1-3H3 | 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 | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411375
(CHEMBL244275)Show SMILES Cc1cnc(o1)-c1ccc2CCN(CCCSc3nnc(-c4cccs4)n3C)CCc2c1 Show InChI InChI=1S/C24H27N5OS2/c1-17-16-25-23(30-17)20-7-6-18-8-11-29(12-9-19(18)15-20)10-4-14-32-24-27-26-22(28(24)2)21-5-3-13-31-21/h3,5-7,13,15-16H,4,8-12,14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411366
(CHEMBL243900)Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(n3C)C(F)(F)F)CCc2c1 Show InChI InChI=1S/C21H24F3N5OS/c1-14-12-18(27-30-14)17-5-4-15-6-9-29(10-7-16(15)13-17)8-3-11-31-20-26-25-19(28(20)2)21(22,23)24/h4-5,12-13H,3,6-11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411397
(CHEMBL243708)Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc5nc(C)c(C)nc5c4)n3C)CCc2c1 Show InChI InChI=1S/C30H33N7OS/c1-19-16-27(35-38-19)24-7-6-22-10-13-37(14-11-23(22)17-24)12-5-15-39-30-34-33-29(36(30)4)25-8-9-26-28(18-25)32-21(3)20(2)31-26/h6-9,16-18H,5,10-15H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411374
(CHEMBL243474)Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(n3C)C(C)(C)C)CCc2c1 Show InChI InChI=1S/C24H33N5OS/c1-17-15-21(27-30-17)20-8-7-18-9-12-29(13-10-19(18)16-20)11-6-14-31-23-26-25-22(28(23)5)24(2,3)4/h7-8,15-16H,6,9-14H2,1-5H3 | 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 | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411371
(CHEMBL242602)Show SMILES Cc1cc(-c2ccc3CCN(CCSc4nnc(-c5ccc(F)c(F)c5)n4C)CCc3c2)n(C)n1 Show InChI InChI=1S/C26H28F2N6S/c1-17-14-24(33(3)31-17)20-5-4-18-8-10-34(11-9-19(18)15-20)12-13-35-26-30-29-25(32(26)2)21-6-7-22(27)23(28)16-21/h4-7,14-16H,8-13H2,1-3H3 | 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 | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50222113
(7-(5-methyl-3-isoxazolyl)-3-(3-{[4-methyl-5-(2-met...)Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4cccc5nc(C)ccc45)n3C)CCc2c1 Show InChI InChI=1S/C30H32N6OS/c1-20-8-11-25-26(6-4-7-27(25)31-20)29-32-33-30(35(29)3)38-17-5-14-36-15-12-22-9-10-24(19-23(22)13-16-36)28-18-21(2)37-34-28/h4,6-11,18-19H,5,12-17H2,1-3H3 | 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 | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411395
(CHEMBL244277)Show SMILES Cc1cnc(o1)-c1ccc2CCN(CCCSc3nnc(-c4cccn4C)n3C)CCc2c1 Show InChI InChI=1S/C25H30N6OS/c1-18-17-26-24(32-18)21-8-7-19-9-13-31(14-10-20(19)16-21)12-5-15-33-25-28-27-23(30(25)3)22-6-4-11-29(22)2/h4,6-8,11,16-17H,5,9-10,12-15H2,1-3H3 | 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 | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411380
(CHEMBL243899)Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(C)n3C)CCc2c1 Show InChI InChI=1S/C21H27N5OS/c1-15-13-20(24-27-15)19-6-5-17-7-10-26(11-8-18(17)14-19)9-4-12-28-21-23-22-16(2)25(21)3/h5-6,13-14H,4,7-12H2,1-3H3 | 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 | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411401
(CHEMBL243859)Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(C4CCCC4)n3C)CCc2c1 Show InChI InChI=1S/C25H33N5OS/c1-18-16-23(28-31-18)22-9-8-19-10-13-30(14-11-21(19)17-22)12-5-15-32-25-27-26-24(29(25)2)20-6-3-4-7-20/h8-9,16-17,20H,3-7,10-15H2,1-2H3 | 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 | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411368
(CHEMBL244085)Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccncc4)n3C)CCc2c1 Show InChI InChI=1S/C25H28N6OS/c1-18-16-23(29-32-18)22-5-4-19-8-13-31(14-9-21(19)17-22)12-3-15-33-25-28-27-24(30(25)2)20-6-10-26-11-7-20/h4-7,10-11,16-17H,3,8-9,12-15H2,1-2H3 | 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 | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411378
(CHEMBL244084)Show SMILES Cc1cnc(o1)-c1ccc2CCN(CCCSc3nnc(-c4cccc5nc(C)ccc45)n3C)CCc2c1 Show InChI InChI=1S/C30H32N6OS/c1-20-8-11-25-26(6-4-7-27(25)32-20)28-33-34-30(35(28)3)38-17-5-14-36-15-12-22-9-10-24(18-23(22)13-16-36)29-31-19-21(2)37-29/h4,6-11,18-19H,5,12-17H2,1-3H3 | 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 | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411391
(CHEMBL242603)Show SMILES CC(CCSc1nnc(-c2cccc3nc(C)ccc23)n1C)N1CCc2ccc(cc2CC1)-c1cc(C)nn1C |w:1.0| Show InChI InChI=1S/C32H37N7S/c1-21-9-12-27-28(7-6-8-29(27)33-21)31-34-35-32(37(31)4)40-18-15-23(3)39-16-13-24-10-11-26(20-25(24)14-17-39)30-19-22(2)36-38(30)5/h6-12,19-20,23H,13-18H2,1-5H3 | 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 | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411365
(CHEMBL243901)Show SMILES CC(C)c1nnc(SCCCN2CCc3ccc(cc3CC2)-c2cc(C)on2)n1C Show InChI InChI=1S/C23H31N5OS/c1-16(2)22-24-25-23(27(22)4)30-13-5-10-28-11-8-18-6-7-20(15-19(18)9-12-28)21-14-17(3)29-26-21/h6-7,14-16H,5,8-13H2,1-4H3 | 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 | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411402
(CHEMBL244946)Show SMILES Cc1cc(-c2ccc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c2)n(C)n1 Show InChI InChI=1S/C31H35N7S/c1-21-9-12-26-27(7-5-8-28(26)32-21)30-33-34-31(36(30)3)39-18-6-15-38-16-13-23-10-11-25(20-24(23)14-17-38)29-19-22(2)35-37(29)4/h5,7-12,19-20H,6,13-18H2,1-4H3 | 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 | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411386
(CHEMBL243709)Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccccc4)n3C)CCc2c1 Show InChI InChI=1S/C26H29N5OS/c1-19-17-24(29-32-19)23-10-9-20-11-14-31(15-12-22(20)18-23)13-6-16-33-26-28-27-25(30(26)2)21-7-4-3-5-8-21/h3-5,7-10,17-18H,6,11-16H2,1-2H3 | 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 | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411372
(CHEMBL245120)Show SMILES Cc1cc(-c2ccc3CCN(CCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c2)n(C)n1 Show InChI InChI=1S/C30H33N7S/c1-20-8-11-25-26(6-5-7-27(25)31-20)29-32-33-30(35(29)3)38-17-16-37-14-12-22-9-10-24(19-23(22)13-15-37)28-18-21(2)34-36(28)4/h5-11,18-19H,12-17H2,1-4H3 | 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 | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411398
(CHEMBL242601)Show SMILES Cc1cc(-c2ccc3CCN(CCSc4nnc(-c5cnc(C)cn5)n4C)CCc3c2)n(C)n1 Show InChI InChI=1S/C25H30N8S/c1-17-13-23(32(4)30-17)21-6-5-19-7-9-33(10-8-20(19)14-21)11-12-34-25-29-28-24(31(25)3)22-16-26-18(2)15-27-22/h5-6,13-16H,7-12H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50370572
(CHEMBL85606 | SB-277011)Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCc3cc(ccc3C2)C#N)CC1)c1ccnc2ccccc12 |r,wU:3.2,wD:6.6,(-5.17,2.38,;-5.16,.84,;-3.83,.08,;-2.49,.85,;-2.5,2.39,;-1.16,3.16,;.18,2.39,;1.51,3.16,;2.84,2.39,;4.18,3.16,;4.17,4.69,;5.51,5.46,;6.84,4.68,;8.18,5.44,;9.51,4.67,;9.5,3.12,;8.16,2.36,;6.83,3.14,;5.51,2.38,;10.85,5.43,;12.18,6.19,;.17,.85,;-1.15,.08,;-6.49,.07,;-7.83,.83,;-9.16,.06,;-9.16,-1.48,;-7.83,-2.25,;-7.83,-3.79,;-6.49,-4.56,;-5.15,-3.79,;-5.16,-2.25,;-6.49,-1.48,)| Show InChI InChI=1S/C28H30N4O/c29-18-21-5-8-23-19-32(16-13-22(23)17-21)15-12-20-6-9-24(10-7-20)31-28(33)26-11-14-30-27-4-2-1-3-25(26)27/h1-5,8,11,14,17,20,24H,6-7,9-10,12-13,15-16,19H2,(H,31,33)/t20-,24- | PDB
MMDB
Reactome pathway
KEGG
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antibodypedia
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411389
(CHEMBL245119)Show SMILES Cc1cc(-c2ccc3CCN(CCCSc4nnc(-c5ocnc5C)n4C)CCc3c2)n(C)n1 Show InChI InChI=1S/C25H31N7OS/c1-17-14-22(31(4)29-17)21-7-6-19-8-11-32(12-9-20(19)15-21)10-5-13-34-25-28-27-24(30(25)3)23-18(2)26-16-33-23/h6-7,14-16H,5,8-13H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411370
(CHEMBL244083 | SB-414796)Show SMILES Cc1nc(no1)-c1cccc(c1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)S(C)(=O)=O)CC1 |wU:15.16,wD:18.20,(6.09,3.05,;6.7,1.64,;8.2,1.31,;8.36,-.19,;6.94,-.83,;5.92,.32,;9.69,-.96,;9.69,-2.51,;11.03,-3.28,;12.36,-2.51,;12.36,-.96,;11.02,-.19,;13.69,-.18,;13.68,1.36,;15.03,-.95,;16.36,-.17,;16.34,1.36,;17.68,2.14,;19.02,1.37,;20.35,2.14,;21.69,1.37,;23.02,2.14,;22.9,3.66,;24.03,4.72,;25.54,4.5,;26.3,5.83,;27.84,5.85,;28.63,4.51,;27.86,3.17,;26.32,3.16,;25.76,1.73,;24.29,1.27,;30.17,4.52,;31.7,4.53,;30.16,6.06,;30.18,2.98,;19.02,-.17,;17.69,-.94,)| Show InChI InChI=1S/C29H36N4O4S/c1-20-30-28(32-37-20)24-4-3-5-25(18-24)29(34)31-26-9-6-21(7-10-26)12-15-33-16-13-22-8-11-27(38(2,35)36)19-23(22)14-17-33/h3-5,8,11,18-19,21,26H,6-7,9-10,12-17H2,1-2H3,(H,31,34)/t21-,26- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411393
(CHEMBL242598)Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(C4CCOCC4)n3C)CCc2c1 Show InChI InChI=1S/C25H33N5O2S/c1-18-16-23(28-32-18)22-5-4-19-6-11-30(12-7-21(19)17-22)10-3-15-33-25-27-26-24(29(25)2)20-8-13-31-14-9-20/h4-5,16-17,20H,3,6-15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50222113
(7-(5-methyl-3-isoxazolyl)-3-(3-{[4-methyl-5-(2-met...)Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4cccc5nc(C)ccc45)n3C)CCc2c1 Show InChI InChI=1S/C30H32N6OS/c1-20-8-11-25-26(6-4-7-27(25)31-20)29-32-33-30(35(29)3)38-17-5-14-36-15-12-22-9-10-24(19-23(22)13-16-36)28-18-21(2)37-34-28/h4,6-11,18-19H,5,12-17H2,1-3H3 | 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 | n/a | n/a | 120 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Binding affinity to hERG expressed in CHO cells by patch clamp assay |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
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