Found 15 hits with Last Name = 'wisialowski' and Initial = 't' 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)) | BDBM50254140
(CHEMBL2382345)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cc(F)ccc3F)c2c1 |r,wU:10.10,14.13,19.20,(34.86,-13.2,;36.2,-12.43,;37.53,-13.2,;37.53,-14.75,;38.86,-15.52,;40.2,-14.74,;41.53,-15.51,;42.87,-14.73,;42.86,-13.18,;41.52,-12.42,;41.51,-10.88,;40.18,-10.12,;42.84,-10.11,;44.18,-10.87,;45.51,-10.09,;46.85,-10.86,;48.17,-10.09,;48.17,-8.55,;46.83,-7.79,;45.5,-8.56,;44.16,-7.8,;42.83,-8.57,;44.15,-6.26,;49.5,-7.78,;50.99,-8.16,;51.38,-6.65,;49.92,-6.27,;52.71,-5.88,;52.69,-4.34,;54.01,-3.56,;54,-2.02,;55.36,-4.32,;55.37,-5.86,;54.05,-6.64,;54.06,-8.18,;40.2,-13.2,;38.86,-12.43,)| Show InChI InChI=1S/C29H32F2N2O4/c1-37-21-4-6-27-24(15-21)22(8-10-32-27)28(34)7-2-17-9-11-33(16-25(17)29(35)36)20-12-18(13-20)23-14-19(30)3-5-26(23)31/h3-6,8,10,14-15,17-18,20,25,28,34H,2,7,9,11-13,16H2,1H3,(H,35,36)/t17-,18?,20?,25+,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Worldwide Research and Development, Groton, CT 06340, USA. Electronic address: mitton-fry.1@osu.edu.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 27: 3353-3358 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.009
BindingDB Entry DOI: 10.7270/Q21R6SZV |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50254148
(CHEMBL4082602)Show SMILES COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3ncccc3F)c2c1 |r,wU:11.11,15.14,20.21,(35.33,-32.01,;36.67,-31.25,;37.99,-32.01,;37.99,-33.56,;39.33,-34.33,;40.66,-33.55,;42,-34.32,;43.34,-33.54,;43.33,-31.99,;44.66,-31.22,;41.99,-31.24,;41.98,-29.69,;40.64,-28.93,;43.31,-28.91,;44.65,-29.68,;45.99,-28.9,;47.31,-29.67,;48.64,-28.9,;48.64,-27.36,;47.3,-26.59,;45.97,-27.36,;44.63,-26.6,;43.3,-27.38,;44.62,-25.06,;49.98,-26.59,;51.46,-26.99,;51.85,-25.5,;50.36,-25.11,;53.18,-24.73,;54.51,-25.5,;55.85,-24.73,;55.85,-23.19,;54.5,-22.42,;53.17,-23.2,;51.83,-22.43,;40.66,-32,;39.33,-31.24,)| Show InChI InChI=1S/C28H31F2N3O4/c1-37-19-5-6-24-20(13-19)26(23(30)14-32-24)25(34)7-4-16-8-10-33(15-21(16)28(35)36)18-11-17(12-18)27-22(29)3-2-9-31-27/h2-3,5-6,9,13-14,16-18,21,25,34H,4,7-8,10-12,15H2,1H3,(H,35,36)/t16-,17?,18?,21+,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Worldwide Research and Development, Groton, CT 06340, USA. Electronic address: mitton-fry.1@osu.edu.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 27: 3353-3358 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.009
BindingDB Entry DOI: 10.7270/Q21R6SZV |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50254150
(CHEMBL4097890)Show SMILES COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cc(F)cc(F)c3)c2c1 |r,wU:11.11,15.14,20.21,(54.33,-48.64,;55.67,-47.86,;57,-48.64,;57,-50.18,;58.33,-50.95,;59.67,-50.17,;61.01,-50.94,;62.33,-50.17,;62.32,-48.62,;63.65,-47.84,;60.99,-47.85,;60.99,-46.31,;59.65,-45.56,;62.31,-45.54,;63.65,-46.3,;64.98,-45.53,;66.32,-46.29,;67.64,-45.53,;67.64,-43.99,;66.3,-43.22,;64.96,-43.99,;63.63,-43.23,;62.3,-44.01,;63.62,-41.69,;68.98,-43.21,;70.46,-43.62,;70.85,-42.13,;69.36,-41.73,;72.17,-41.36,;72.17,-39.82,;73.5,-39.05,;73.49,-37.51,;74.84,-39.82,;74.84,-41.36,;76.17,-42.13,;73.51,-42.13,;59.67,-48.63,;58.33,-47.86,)| Show InChI InChI=1S/C29H31F3N2O4/c1-38-22-3-4-26-23(13-22)28(25(32)14-33-26)27(35)5-2-16-6-7-34(15-24(16)29(36)37)21-10-18(11-21)17-8-19(30)12-20(31)9-17/h3-4,8-9,12-14,16,18,21,24,27,35H,2,5-7,10-11,15H2,1H3,(H,36,37)/t16-,18?,21?,24+,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Worldwide Research and Development, Groton, CT 06340, USA. Electronic address: mitton-fry.1@osu.edu.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 27: 3353-3358 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.009
BindingDB Entry DOI: 10.7270/Q21R6SZV |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50393504
(CHEMBL2159976)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI InChI=1S/C25H30N2O4S2/c1-31-18-5-6-22-20(15-18)19(8-10-26-22)23(28)7-4-17-9-11-27(16-21(17)25(29)30)12-14-33-24-3-2-13-32-24/h2-3,5-6,8,10,13,15,17,21,23,28H,4,7,9,11-12,14,16H2,1H3,(H,29,30)/t17-,21+,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.97E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Worldwide Research and Development, Groton, CT 06340, USA. Electronic address: mitton-fry.1@osu.edu.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 27: 3353-3358 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.009
BindingDB Entry DOI: 10.7270/Q21R6SZV |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50254151
(CHEMBL4103746)Show SMILES COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3ccccc3)c2c1 |r,wU:11.11,15.14,20.21,(2.57,-47.52,;3.9,-46.75,;5.23,-47.52,;5.23,-49.07,;6.57,-49.84,;7.9,-49.06,;9.24,-49.83,;10.57,-49.05,;10.57,-47.5,;11.9,-46.73,;9.23,-46.74,;9.22,-45.2,;7.88,-44.44,;10.55,-44.42,;11.89,-45.19,;13.22,-44.41,;14.55,-45.18,;15.88,-44.41,;15.88,-42.87,;14.54,-42.1,;13.21,-42.87,;11.87,-42.11,;10.54,-42.89,;11.86,-40.57,;17.21,-42.1,;18.69,-42.5,;19.09,-41.01,;17.6,-40.62,;20.41,-40.24,;21.75,-41.01,;23.08,-40.24,;23.08,-38.7,;21.74,-37.93,;20.41,-38.71,;7.9,-47.51,;6.56,-46.75,)| Show InChI InChI=1S/C29H33FN2O4/c1-36-22-8-9-26-23(15-22)28(25(30)16-31-26)27(33)10-7-19-11-12-32(17-24(19)29(34)35)21-13-20(14-21)18-5-3-2-4-6-18/h2-6,8-9,15-16,19-21,24,27,33H,7,10-14,17H2,1H3,(H,34,35)/t19-,20?,21?,24+,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Worldwide Research and Development, Groton, CT 06340, USA. Electronic address: mitton-fry.1@osu.edu.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 27: 3353-3358 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.009
BindingDB Entry DOI: 10.7270/Q21R6SZV |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50393503
(CHEMBL2158050)Show SMILES COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI InChI=1S/C25H29FN2O4S2/c1-32-17-5-6-21-18(13-17)24(20(26)14-27-21)22(29)7-4-16-8-9-28(15-19(16)25(30)31)10-12-34-23-3-2-11-33-23/h2-3,5-6,11,13-14,16,19,22,29H,4,7-10,12,15H2,1H3,(H,30,31)/t16-,19+,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Worldwide Research and Development, Groton, CT 06340, USA. Electronic address: mitton-fry.1@osu.edu.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 27: 3353-3358 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.009
BindingDB Entry DOI: 10.7270/Q21R6SZV |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50254142
(CHEMBL2382287)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3ccccc3)c2c1 |r,wU:10.10,14.13,19.20,(27.36,-12.97,;28.69,-12.2,;30.02,-12.97,;30.02,-14.51,;31.36,-15.28,;32.69,-14.5,;34.03,-15.27,;35.36,-14.5,;35.35,-12.95,;34.01,-12.19,;34.01,-10.65,;32.67,-9.88,;35.34,-9.87,;36.67,-10.63,;38,-9.86,;39.34,-10.63,;40.66,-9.86,;40.66,-8.32,;39.33,-7.55,;37.99,-8.32,;36.65,-7.56,;35.32,-8.34,;36.64,-6.02,;42,-7.54,;43.48,-7.92,;43.88,-6.42,;42.41,-6.04,;45.2,-5.64,;46.54,-6.4,;47.87,-5.63,;47.86,-4.08,;46.51,-3.32,;45.19,-4.11,;32.69,-12.96,;31.35,-12.2,)| Show InChI InChI=1S/C29H34N2O4/c1-35-23-8-9-27-25(17-23)24(11-13-30-27)28(32)10-7-20-12-14-31(18-26(20)29(33)34)22-15-21(16-22)19-5-3-2-4-6-19/h2-6,8-9,11,13,17,20-22,26,28,32H,7,10,12,14-16,18H2,1H3,(H,33,34)/t20-,21?,22?,26+,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.49E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Worldwide Research and Development, Groton, CT 06340, USA. Electronic address: mitton-fry.1@osu.edu.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 27: 3353-3358 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.009
BindingDB Entry DOI: 10.7270/Q21R6SZV |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50254159
(CHEMBL4079869)Show SMILES COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cccc(F)c3F)c2c1 |r,wU:11.11,15.14,20.21,(2.38,-12.28,;3.72,-11.51,;5.04,-12.28,;5.04,-13.83,;6.38,-14.59,;7.71,-13.82,;9.05,-14.58,;10.38,-13.81,;10.37,-12.26,;11.7,-11.48,;9.04,-11.5,;9.03,-9.96,;7.69,-9.2,;10.36,-9.18,;11.7,-9.94,;13.03,-9.17,;14.36,-9.94,;15.68,-9.17,;15.68,-7.63,;14.35,-6.86,;13.01,-7.64,;11.68,-6.87,;10.35,-7.65,;11.67,-5.33,;17.02,-6.85,;18.5,-7.26,;18.89,-5.77,;17.4,-5.37,;20.22,-5,;21.55,-5.78,;22.89,-5,;22.88,-3.46,;21.54,-2.7,;21.53,-1.16,;20.21,-3.47,;18.87,-2.71,;7.71,-12.27,;6.37,-11.51,)| Show InChI InChI=1S/C29H31F3N2O4/c1-38-19-6-7-25-21(13-19)27(24(31)14-33-25)26(35)8-5-16-9-10-34(15-22(16)29(36)37)18-11-17(12-18)20-3-2-4-23(30)28(20)32/h2-4,6-7,13-14,16-18,22,26,35H,5,8-12,15H2,1H3,(H,36,37)/t16-,17?,18?,22+,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Worldwide Research and Development, Groton, CT 06340, USA. Electronic address: mitton-fry.1@osu.edu.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 27: 3353-3358 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.009
BindingDB Entry DOI: 10.7270/Q21R6SZV |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50254158
(CHEMBL4078201)Show SMILES COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cc(F)ccc3F)c2n1 |r,wU:11.11,15.14,20.21,(41.14,-49.58,;42.48,-48.82,;43.81,-49.58,;43.81,-51.13,;45.15,-51.9,;46.48,-51.12,;47.82,-51.89,;49.15,-51.11,;49.14,-49.56,;50.47,-48.79,;47.81,-48.81,;47.8,-47.27,;46.46,-46.5,;49.12,-46.48,;50.46,-47.25,;51.79,-46.47,;53.13,-47.25,;54.46,-46.47,;54.46,-44.93,;53.12,-44.17,;51.78,-44.94,;50.44,-44.18,;49.11,-44.95,;50.43,-42.64,;55.79,-44.16,;57.27,-44.56,;57.66,-43.07,;56.18,-42.68,;58.99,-42.31,;60.33,-43.08,;61.66,-42.31,;62.99,-43.07,;61.66,-40.77,;60.31,-39.99,;58.98,-40.77,;57.65,-40.01,;46.48,-49.58,;45.14,-48.82,)| Show InChI InChI=1S/C28H30F3N3O4/c1-38-25-7-5-23-27(33-25)26(22(31)13-32-23)24(35)6-2-15-8-9-34(14-20(15)28(36)37)18-10-16(11-18)19-12-17(29)3-4-21(19)30/h3-5,7,12-13,15-16,18,20,24,35H,2,6,8-11,14H2,1H3,(H,36,37)/t15-,16?,18?,20+,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Worldwide Research and Development, Groton, CT 06340, USA. Electronic address: mitton-fry.1@osu.edu.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 27: 3353-3358 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.009
BindingDB Entry DOI: 10.7270/Q21R6SZV |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50254139
(CHEMBL4064317)Show SMILES COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3c(F)cccc3F)c2c1 |r,wU:11.11,15.14,20.21,(19.81,-47.84,;21.14,-47.07,;22.47,-47.84,;22.47,-49.39,;23.8,-50.16,;25.14,-49.38,;26.48,-50.15,;27.81,-49.37,;27.8,-47.82,;29.14,-47.05,;26.47,-47.06,;26.46,-45.52,;25.12,-44.76,;27.79,-44.74,;29.13,-45.51,;30.46,-44.73,;31.79,-45.5,;33.12,-44.73,;33.12,-43.19,;31.78,-42.42,;30.45,-43.19,;29.11,-42.43,;27.78,-43.21,;29.1,-40.89,;34.45,-42.42,;35.93,-42.82,;36.33,-41.33,;34.84,-40.94,;37.65,-40.56,;37.65,-39.03,;36.31,-38.26,;38.98,-38.25,;40.32,-39.02,;40.32,-40.56,;38.99,-41.33,;38.99,-42.87,;25.14,-47.83,;23.8,-47.07,)| Show InChI InChI=1S/C29H31F3N2O4/c1-38-19-6-7-25-20(13-19)28(24(32)14-33-25)26(35)8-5-16-9-10-34(15-21(16)29(36)37)18-11-17(12-18)27-22(30)3-2-4-23(27)31/h2-4,6-7,13-14,16-18,21,26,35H,5,8-12,15H2,1H3,(H,36,37)/t16-,17?,18?,21+,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.53E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Worldwide Research and Development, Groton, CT 06340, USA. Electronic address: mitton-fry.1@osu.edu.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 27: 3353-3358 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.009
BindingDB Entry DOI: 10.7270/Q21R6SZV |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50254141
(CHEMBL2382343)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3c(F)cccc3F)c2c1 |r,wU:10.10,14.13,19.20,(13.85,-11.9,;15.18,-11.13,;16.52,-11.9,;16.52,-13.44,;17.85,-14.22,;19.18,-13.44,;20.52,-14.2,;21.85,-13.43,;21.84,-11.88,;20.51,-11.12,;20.5,-9.58,;19.16,-8.82,;21.83,-8.8,;23.17,-9.57,;24.5,-8.79,;25.83,-9.56,;27.16,-8.79,;27.16,-7.25,;25.82,-6.48,;24.48,-7.26,;23.14,-6.49,;21.81,-7.27,;23.14,-4.95,;28.49,-6.48,;29.98,-6.85,;30.37,-5.35,;28.91,-4.97,;31.69,-4.57,;31.68,-3.04,;30.34,-2.28,;33,-2.26,;34.35,-3.02,;34.36,-4.56,;33.03,-5.34,;33.04,-6.88,;19.18,-11.89,;17.85,-11.13,)| Show InChI InChI=1S/C29H32F2N2O4/c1-37-20-6-7-26-22(15-20)21(9-11-32-26)27(34)8-5-17-10-12-33(16-23(17)29(35)36)19-13-18(14-19)28-24(30)3-2-4-25(28)31/h2-4,6-7,9,11,15,17-19,23,27,34H,5,8,10,12-14,16H2,1H3,(H,35,36)/t17-,18?,19?,23+,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.76E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Worldwide Research and Development, Groton, CT 06340, USA. Electronic address: mitton-fry.1@osu.edu.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 27: 3353-3358 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.009
BindingDB Entry DOI: 10.7270/Q21R6SZV |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50254134
(CHEMBL4092041)Show SMILES COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cc(F)ccc3F)c2c1 |r,wU:11.11,15.14,20.21,(37.48,-48.35,;38.81,-47.58,;40.15,-48.35,;40.15,-49.89,;41.48,-50.67,;42.82,-49.89,;44.15,-50.66,;45.48,-49.88,;45.47,-48.33,;46.8,-47.56,;44.14,-47.57,;44.14,-46.03,;42.8,-45.27,;45.46,-45.25,;46.8,-46.02,;48.13,-45.24,;49.47,-46.01,;50.79,-45.24,;50.79,-43.7,;49.45,-42.93,;48.12,-43.7,;46.78,-42.94,;45.45,-43.72,;46.77,-41.4,;52.13,-42.93,;53.61,-43.33,;54,-41.84,;52.51,-41.45,;55.33,-41.07,;56.66,-41.84,;58,-41.07,;59.32,-41.84,;57.99,-39.53,;56.65,-38.76,;55.32,-39.54,;53.98,-38.77,;42.82,-48.34,;41.48,-47.58,)| Show InChI InChI=1S/C29H31F3N2O4/c1-38-20-4-6-26-22(13-20)28(25(32)14-33-26)27(35)7-2-16-8-9-34(15-23(16)29(36)37)19-10-17(11-19)21-12-18(30)3-5-24(21)31/h3-6,12-14,16-17,19,23,27,35H,2,7-11,15H2,1H3,(H,36,37)/t16-,17?,19?,23+,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Worldwide Research and Development, Groton, CT 06340, USA. Electronic address: mitton-fry.1@osu.edu.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 27: 3353-3358 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.009
BindingDB Entry DOI: 10.7270/Q21R6SZV |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50254149
(CHEMBL4101570)Show SMILES COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3ccno3)c2c1 |r,wU:11.11,15.14,20.21,(2.78,-30.75,;4.11,-29.98,;5.44,-30.75,;5.43,-32.29,;6.77,-33.06,;8.1,-32.28,;9.44,-33.05,;10.77,-32.28,;10.77,-30.73,;12.1,-29.95,;9.43,-29.97,;9.42,-28.43,;8.08,-27.66,;10.75,-27.65,;12.09,-28.42,;13.42,-27.64,;14.76,-28.41,;16.07,-27.64,;16.07,-26.1,;14.74,-25.33,;13.41,-26.1,;12.07,-25.34,;10.74,-26.12,;12.06,-23.8,;17.41,-25.33,;18.89,-25.73,;19.28,-24.24,;17.8,-23.85,;20.61,-23.46,;22.02,-24.09,;23.05,-22.94,;22.28,-21.6,;20.77,-21.93,;8.1,-30.74,;6.77,-29.98,)| Show InChI InChI=1S/C26H30FN3O5/c1-34-18-3-4-22-19(12-18)25(21(27)13-28-22)23(31)5-2-15-7-9-30(14-20(15)26(32)33)17-10-16(11-17)24-6-8-29-35-24/h3-4,6,8,12-13,15-17,20,23,31H,2,5,7,9-11,14H2,1H3,(H,32,33)/t15-,16?,17?,20+,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Worldwide Research and Development, Groton, CT 06340, USA. Electronic address: mitton-fry.1@osu.edu.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 27: 3353-3358 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.009
BindingDB Entry DOI: 10.7270/Q21R6SZV |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50254157
(CHEMBL2424928)Show SMILES O[C@@]1(CN2CCC(CC2)NCc2cc3OCCOc3cn2)Cn2c3c1c(F)cnc3ccc2=O |r| Show InChI InChI=1S/C24H26FN5O4/c25-17-11-28-18-1-2-21(31)30-14-24(32,22(17)23(18)30)13-29-5-3-15(4-6-29)26-10-16-9-19-20(12-27-16)34-8-7-33-19/h1-2,9,11-12,15,26,32H,3-8,10,13-14H2/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Worldwide Research and Development, Groton, CT 06340, USA. Electronic address: mitton-fry.1@osu.edu.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 27: 3353-3358 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.009
BindingDB Entry DOI: 10.7270/Q21R6SZV |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50050549
(GSK2140944 | Gepotidacin)Show SMILES O=c1ccc2ncc(=O)n3[C@H](CN4CCC(CC4)NCc4cc5CCCOc5cn4)Cn1c23 |r| Show InChI InChI=1S/C24H28N6O3/c31-22-4-3-20-24-29(22)15-19(30(24)23(32)13-27-20)14-28-7-5-17(6-8-28)25-11-18-10-16-2-1-9-33-21(16)12-26-18/h3-4,10,12-13,17,19,25H,1-2,5-9,11,14-15H2/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.31E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Worldwide Research and Development, Groton, CT 06340, USA. Electronic address: mitton-fry.1@osu.edu.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 27: 3353-3358 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.009
BindingDB Entry DOI: 10.7270/Q21R6SZV |
More data for this
Ligand-Target Pair | |
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