Found 70 hits of Enzyme Inhibition Constant Data 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)) | BDBM50084125
(CHEMBL3425935)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NC\C=C\c2cc(F)ccc2F)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.19,.38,;-9.72,.15,;-10.69,1.35,;-12.21,1.12,;-12.99,2.08,;-12.77,-.32,;-11.81,-1.53,;-10.28,-1.29,;-9.51,-2.26,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)| Show InChI InChI=1S/C27H26F3N3O3/c28-18-3-4-19(29)17(12-18)2-1-11-32-25-7-9-26(10-8-25,36-16-25)14-27(35)15-33-22(34)6-5-21-24(33)23(27)20(30)13-31-21/h1-6,12-13,32,35H,7-11,14-16H2/b2-1+/t25?,26?,27-/m0/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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084143
(CHEMBL3425937)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NC\C(F)=C/c2cc(F)ccc2F)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.41,2.79,;-8.19,.38,;-7.23,-.82,;-5.7,-.58,;-4.73,-1.78,;-3.51,-1.59,;-5.29,-3.22,;-6.81,-3.46,;-7.78,-2.26,;-9,-2.45,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)| Show InChI InChI=1S/C27H25F4N3O3/c28-17-1-2-19(30)16(9-17)10-18(29)11-33-25-5-7-26(8-6-25,37-15-25)13-27(36)14-34-22(35)4-3-21-24(34)23(27)20(31)12-32-21/h1-4,9-10,12,33,36H,5-8,11,13-15H2/b18-10+/t25?,26?,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084042
(CHEMBL3425943)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc(on2)-c2cccs2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.33,;.93,2.51,;.33,3.93,;-1.21,4.15,;-1.6,2.69,;-3.13,2.51,;-4.07,3.76,;-2.64,3.2,;-2.42,4.74,;-3.45,5.17,;-1.92,5.37,;-5.58,3.52,;-6.14,2.07,;-7.68,1.83,;-8.37,.46,;-9.9,.71,;-10.14,2.24,;-8.75,2.94,;-11.01,-.39,;-10.87,-1.92,;-12.31,-2.5,;-13.31,-1.32,;-12.5,0,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.65,.25,;3.72,.87,;2.65,-1.27,;1.32,-2.02,;,-1.27,;-1.3,-2.02,;-2.63,-1.27,;-2.63,.25,;-3.7,.87,)| Show InChI InChI=1S/C26H25FN4O4S/c27-17-12-28-18-3-4-21(32)31-14-26(33,22(17)23(18)31)13-25-7-5-24(6-8-25,15-34-25)29-11-16-10-19(35-30-16)20-2-1-9-36-20/h1-4,9-10,12,29,33H,5-8,11,13-15H2/t24?,25?,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084144
(CHEMBL3425938)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NC\C(F)=C\c2cc(F)ccc2F)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.41,2.79,;-8.19,.38,;-9.72,.15,;-10.69,1.35,;-12.21,1.12,;-12.99,2.08,;-12.77,-.32,;-11.81,-1.53,;-10.28,-1.29,;-9.51,-2.26,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)| Show InChI InChI=1S/C27H25F4N3O3/c28-17-1-2-19(30)16(9-17)10-18(29)11-33-25-5-7-26(8-6-25,37-15-25)13-27(36)14-34-22(35)4-3-21-24(34)23(27)20(31)12-32-21/h1-4,9-10,12,33,36H,5-8,11,13-15H2/b18-10-/t25?,26?,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084124
(CHEMBL3425934)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NC\C=C\c2c(F)cccc2F)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.19,.38,;-9.72,.15,;-10.69,1.35,;-10.24,2.5,;-12.21,1.12,;-12.77,-.32,;-11.81,-1.53,;-10.28,-1.29,;-9.51,-2.26,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)| Show InChI InChI=1S/C27H26F3N3O3/c28-18-4-1-5-19(29)17(18)3-2-12-32-25-8-10-26(11-9-25,36-16-25)14-27(35)15-33-22(34)7-6-21-24(33)23(27)20(30)13-31-21/h1-7,13,32,35H,8-12,14-16H2/b3-2+/t25?,26?,27-/m0/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 | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084147
(CHEMBL3425941)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCCCc2cc(F)ccc2F)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.19,.38,;-9.72,.15,;-10.69,1.35,;-12.21,1.12,;-12.99,2.08,;-12.77,-.32,;-11.81,-1.53,;-10.28,-1.29,;-9.51,-2.26,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)| Show InChI InChI=1S/C27H28F3N3O3/c28-18-3-4-19(29)17(12-18)2-1-11-32-25-7-9-26(10-8-25,36-16-25)14-27(35)15-33-22(34)6-5-21-24(33)23(27)20(30)13-31-21/h3-6,12-13,32,35H,1-2,7-11,14-16H2/t25?,26?,27-/m0/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 | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084145
(CHEMBL3425939)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NC\C=C\c2ccccc2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.19,.38,;-9.72,.15,;-10.28,-1.29,;-11.81,-1.53,;-12.77,-.32,;-12.21,1.12,;-10.69,1.35,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)| Show InChI InChI=1S/C27H28FN3O3/c28-20-15-29-21-8-9-22(32)31-17-27(33,23(20)24(21)31)16-26-12-10-25(11-13-26,18-34-26)30-14-4-7-19-5-2-1-3-6-19/h1-9,15,30,33H,10-14,16-18H2/b7-4+/t25?,26?,27-/m0/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 | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084148
(CHEMBL3425942)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCOc2cc(F)ccc2F)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.15,;-1.6,2.69,;-3.13,2.51,;-4.07,3.76,;-2.64,3.2,;-2.42,4.74,;-3.45,5.17,;-1.92,5.37,;-5.58,3.52,;-6.14,2.07,;-7.68,1.83,;-8.24,.39,;-7.26,-.82,;-7.82,-2.27,;-7.04,-3.24,;-9.35,-2.51,;-10.33,-1.3,;-9.77,.14,;-10.55,1.11,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.27,;1.32,-2.02,;,-1.27,;-1.3,-2.02,;-2.63,-1.27,;-2.63,.25,;-3.7,.87,)| Show InChI InChI=1S/C25H24F3N3O4/c26-15-1-2-16(27)19(9-15)34-14-30-23-5-7-24(8-6-23,35-13-23)11-25(33)12-31-20(32)4-3-18-22(31)21(25)17(28)10-29-18/h1-4,9-10,30,33H,5-8,11-14H2/t23?,24?,25-/m0/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 | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084146
(CHEMBL3425940)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NC\C=C\c2ccccn2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.23,.39,;-9.76,.15,;-10.74,1.36,;-12.27,1.12,;-12.83,-.33,;-11.86,-1.54,;-10.33,-1.3,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)| Show InChI InChI=1S/C26H27FN4O3/c27-19-14-29-20-6-7-21(32)31-16-26(33,22(19)23(20)31)15-25-10-8-24(9-11-25,17-34-25)30-13-3-5-18-4-1-2-12-28-18/h1-7,12,14,30,33H,8-11,13,15-17H2/b5-3+/t24?,25?,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084126
(CHEMBL3425936)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NC\C=C\c2ccc(F)cc2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.19,.38,;-9.72,.15,;-10.28,-1.29,;-11.81,-1.53,;-12.77,-.32,;-13.99,-.51,;-12.21,1.12,;-10.69,1.35,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)| Show InChI InChI=1S/C27H27F2N3O3/c28-19-5-3-18(4-6-19)2-1-13-31-25-9-11-26(12-10-25,35-17-25)15-27(34)16-32-22(33)8-7-21-24(32)23(27)20(29)14-30-21/h1-8,14,31,34H,9-13,15-17H2/b2-1+/t25?,26?,27-/m0/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 | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084056
(CHEMBL3425810)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3OCCOc3cn2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.24,.38,;-9.77,.14,;-10.33,-1.3,;-11.86,-1.54,;-12.83,-.33,;-12.27,1.11,;-10.74,1.35,;-10.18,2.79,;-8.64,3.04,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)| Show InChI InChI=1S/C26H27FN4O5/c27-17-11-29-18-1-2-21(32)31-14-26(33,22(17)23(18)31)13-25-5-3-24(4-6-25,15-36-25)30-10-16-9-19-20(12-28-16)35-8-7-34-19/h1-2,9,11-12,30,33H,3-8,10,13-15H2/t24?,25?,26-/m0/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 | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084055
(CHEMBL3425808)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3c2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.6,3.03,;-10.14,2.78,;-10.69,1.34,;-12.22,1.11,;-12.78,-.33,;-11.81,-1.53,;-12.26,-2.68,;-10.29,-1.3,;-9.73,.14,;-8.21,.38,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)| Show InChI InChI=1S/C27H27FN4O5/c28-17-11-29-18-2-4-22(34)32-14-27(35,23(17)24(18)32)13-26-7-5-25(6-8-26,15-37-26)30-10-16-1-3-20-19(9-16)31-21(33)12-36-20/h1-4,9,11,30,35H,5-8,10,12-15H2,(H,31,33)/t25?,26?,27-/m0/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 | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084049
(CHEMBL3425806)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3NC(=O)COc3cn2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.24,.38,;-9.77,.14,;-10.33,-1.3,;-11.86,-1.54,;-12.31,-2.7,;-12.83,-.33,;-12.27,1.11,;-10.74,1.35,;-10.18,2.79,;-8.64,3.04,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)| Show InChI InChI=1S/C26H26FN5O5/c27-16-9-29-17-1-2-21(34)32-13-26(35,22(16)23(17)32)12-25-5-3-24(4-6-25,14-37-25)30-8-15-7-18-19(10-28-15)36-11-20(33)31-18/h1-2,7,9-10,30,35H,3-6,8,11-14H2,(H,31,33)/t24?,25?,26-/m0/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 | 1.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084110
(CHEMBL3425822)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCCOc3c2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.6,3.03,;-10.14,2.78,;-10.69,1.34,;-12.22,1.11,;-12.78,-.33,;-11.81,-1.53,;-10.29,-1.3,;-9.73,.14,;-8.21,.38,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)| Show InChI InChI=1S/C27H28FN3O5/c28-18-13-29-19-2-4-22(32)31-15-27(33,23(18)24(19)31)14-26-7-5-25(6-8-26,16-36-26)30-12-17-1-3-20-21(11-17)35-10-9-34-20/h1-4,11,13,30,33H,5-10,12,14-16H2/t25?,26?,27-/m0/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 | 1.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084043
(CHEMBL3425798)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3SCC(=O)Nc3n2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.64,3.04,;-10.18,2.79,;-10.74,1.35,;-12.27,1.11,;-12.83,-.33,;-11.86,-1.54,;-12.31,-2.7,;-10.33,-1.3,;-9.77,.14,;-8.24,.38,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)| Show InChI InChI=1S/C26H26FN5O4S/c27-16-10-28-17-2-4-20(34)32-13-26(35,21(16)22(17)32)12-25-7-5-24(6-8-25,14-36-25)29-9-15-1-3-18-23(30-15)31-19(33)11-37-18/h1-4,10,29,35H,5-9,11-14H2,(H,30,31,33)/t24?,25?,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.57E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084045
(CHEMBL3425800)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2nc3NC(=O)COc3cc2Cl)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.65,3.05,;-10.18,2.81,;-11.15,4.02,;-12.68,3.79,;-13.46,4.76,;-13.25,2.35,;-12.28,1.14,;-10.75,1.37,;-9.78,.16,;-8.23,.39,;-7.46,-.58,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)| Show InChI InChI=1S/C26H25ClFN5O5/c27-14-7-18-23(32-19(34)10-37-18)31-17(14)9-30-24-3-5-25(6-4-24,38-13-24)11-26(36)12-33-20(35)2-1-16-22(33)21(26)15(28)8-29-16/h1-2,7-8,30,36H,3-6,9-13H2,(H,31,32,34)/t24?,25?,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.77E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084122
(CHEMBL3425931)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OC(F)(F)Oc3c2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.63,3.04,;-10.19,2.82,;-10.74,1.37,;-12.19,.82,;-12.11,-.73,;-13.26,-.26,;-11.9,-1.95,;-10.64,-1.13,;-9.78,.16,;-8.24,.37,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)| Show InChI InChI=1S/C26H24F3N3O5/c27-16-11-30-17-2-4-20(33)32-13-25(34,21(16)22(17)32)12-24-7-5-23(6-8-24,14-35-24)31-10-15-1-3-18-19(9-15)37-26(28,29)36-18/h1-4,9,11,31,34H,5-8,10,12-14H2/t23?,24?,25-/m0/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 | 2.82E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084049
(CHEMBL3425806)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3NC(=O)COc3cn2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.24,.38,;-9.77,.14,;-10.33,-1.3,;-11.86,-1.54,;-12.31,-2.7,;-12.83,-.33,;-12.27,1.11,;-10.74,1.35,;-10.18,2.79,;-8.64,3.04,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)| Show InChI InChI=1S/C26H26FN5O5/c27-16-9-29-17-1-2-21(34)32-13-26(35,22(16)23(17)32)12-25-5-3-24(4-6-25,14-37-25)30-8-15-7-18-19(10-28-15)36-11-20(33)31-18/h1-2,7,9-10,30,35H,3-6,8,11-14H2,(H,31,33)/t24?,25?,26-/m0/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 | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084052
(CHEMBL3425807)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2ncc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.33,;.93,2.51,;.33,3.94,;-1.21,4.15,;-1.6,2.69,;-3.14,2.51,;-4.07,3.76,;-2.64,3.21,;-2.42,4.74,;-3.45,5.17,;-1.92,5.37,;-5.58,3.52,;-6.15,2.07,;-7.68,1.84,;-8.65,3.04,;-10.2,2.8,;-10.76,1.35,;-12.29,1.11,;-12.85,-.33,;-11.88,-1.54,;-12.33,-2.7,;-10.35,-1.3,;-9.79,.14,;-8.26,.38,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.65,.25,;3.72,.87,;2.65,-1.27,;1.32,-2.02,;,-1.27,;-1.3,-2.02,;-2.63,-1.27,;-2.63,.25,;-3.7,.87,)| Show InChI InChI=1S/C25H25FN6O5/c26-14-7-27-15-1-2-19(34)32-12-25(35,20(14)21(15)32)11-24-5-3-23(4-6-24,13-37-24)29-9-17-28-8-16-22(30-17)31-18(33)10-36-16/h1-2,7-8,29,35H,3-6,9-13H2,(H,28,30,31,33)/t23?,24?,25-/m0/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 | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084114
(CHEMBL3425825)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2c(Cl)cc3OCCOc3c2Cl)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.6,3.03,;-8.16,4.18,;-10.14,2.78,;-10.69,1.34,;-12.22,1.11,;-12.78,-.33,;-11.81,-1.53,;-10.29,-1.3,;-9.73,.14,;-8.21,.38,;-7.43,-.59,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)| Show InChI InChI=1S/C27H26Cl2FN3O5/c28-16-9-19-24(37-8-7-36-19)22(29)15(16)10-32-25-3-5-26(6-4-25,38-14-25)12-27(35)13-33-20(34)2-1-18-23(33)21(27)17(30)11-31-18/h1-2,9,11,32,35H,3-8,10,12-14H2/t25?,26?,27-/m0/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 | 3.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084048
(CHEMBL3425805)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2nc3NC(=O)COc3cc2OC(=O)c2ccccc2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.2,4.12,;-1.59,2.67,;-3.11,2.49,;-4.05,3.74,;-2.62,3.18,;-2.4,4.71,;-3.43,5.14,;-1.91,5.33,;-5.55,3.5,;-6.1,2.06,;-7.63,1.82,;-8.61,3.03,;-10.13,2.8,;-11.09,4,;-12.61,3.77,;-13.39,4.73,;-13.17,2.33,;-12.21,1.13,;-10.69,1.36,;-9.73,.16,;-8.19,.39,;-7.23,-.82,;-7.79,-2.26,;-9.01,-2.44,;-6.83,-3.46,;-7.39,-4.9,;-6.42,-6.11,;-4.9,-5.87,;-4.34,-4.44,;-5.3,-3.23,;-1,2.52,;-1.3,1,;,.24,;1.31,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.31,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)| Show InChI InChI=1S/C33H30FN5O7/c34-20-13-35-21-6-7-26(41)39-17-33(43,27(20)28(21)39)16-32-10-8-31(9-11-32,18-45-32)36-14-22-23(46-30(42)19-4-2-1-3-5-19)12-24-29(37-22)38-25(40)15-44-24/h1-7,12-13,36,43H,8-11,14-18H2,(H,37,38,40)/t31?,32?,33-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084120
(CHEMBL3425929)Show SMILES CN1CCN(C)c2nc(CNC34CCC(C[C@]5(O)Cn6c7c5c(F)cnc7ccc6=O)(CC3)OC4)ccc12 |r,wD:16.16,(-13.05,2.08,;-12.27,1.11,;-12.83,-.33,;-11.86,-1.54,;-10.33,-1.3,;-9.56,-2.27,;-9.77,.14,;-8.24,.38,;-7.67,1.83,;-6.14,2.07,;-5.58,3.52,;-4.07,3.76,;-3.13,2.5,;-1.59,2.68,;-1.21,4.14,;.33,3.93,;.93,2.51,;2.15,2.32,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,;-2.42,4.73,;-2.64,3.2,;-1.92,5.36,;-3.45,5.16,;-8.64,3.04,;-10.18,2.79,;-10.74,1.35,)| Show InChI InChI=1S/C28H33FN6O3/c1-33-11-12-34(2)25-21(33)5-3-18(32-25)13-31-26-7-9-27(10-8-26,38-17-26)15-28(37)16-35-22(36)6-4-20-24(35)23(28)19(29)14-30-20/h3-6,14,31,37H,7-13,15-17H2,1-2H3/t26?,27?,28-/m0/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 | 3.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084115
(CHEMBL3425826)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3OCCOc3c(Cl)c2Cl)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.61,3.03,;-10.14,2.8,;-11.1,4,;-12.62,3.77,;-13.19,2.34,;-12.22,1.13,;-10.7,1.36,;-9.74,.16,;-10.19,-.99,;-8.19,.39,;-7.42,-.58,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)| Show InChI InChI=1S/C27H26Cl2FN3O5/c28-21-15(9-18-24(22(21)29)37-8-7-36-18)10-32-25-3-5-26(6-4-25,38-14-25)12-27(35)13-33-19(34)2-1-17-23(33)20(27)16(30)11-31-17/h1-2,9,11,32,35H,3-8,10,12-14H2/t25?,26?,27-/m0/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 | 3.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084123
(CHEMBL3425932)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3SCOc3cn2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.15,;-1.6,2.69,;-3.13,2.51,;-4.07,3.76,;-2.64,3.2,;-2.42,4.74,;-3.45,5.17,;-1.92,5.37,;-5.58,3.52,;-6.14,2.07,;-7.68,1.83,;-8.25,.37,;-9.79,.16,;-10.65,-1.13,;-12.12,-.73,;-12.2,.82,;-10.75,1.37,;-10.19,2.82,;-8.64,3.05,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.27,;1.32,-2.02,;,-1.27,;-1.3,-2.02,;-2.63,-1.27,;-2.63,.25,;-3.7,.87,)| Show InChI InChI=1S/C25H25FN4O4S/c26-16-9-28-17-1-2-20(31)30-12-25(32,21(16)22(17)30)11-24-5-3-23(4-6-24,13-34-24)29-8-15-7-19-18(10-27-15)33-14-35-19/h1-2,7,9-10,29,32H,3-6,8,11-14H2/t23?,24?,25-/m0/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 | 3.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084046
(CHEMBL3425801)Show SMILES Cc1cc2OCC(=O)Nc2nc1CNC12CCC(C[C@]3(O)Cn4c5c3c(F)cnc5ccc4=O)(CC1)OC2 |r,wD:19.21,(-7.46,-.58,;-8.23,.39,;-9.78,.16,;-10.75,1.37,;-12.28,1.14,;-13.25,2.35,;-12.68,3.79,;-13.46,4.76,;-11.15,4.02,;-10.18,2.81,;-8.65,3.05,;-7.67,1.83,;-6.14,2.07,;-5.58,3.52,;-4.07,3.76,;-3.13,2.5,;-1.59,2.68,;-1.21,4.14,;.33,3.93,;.93,2.51,;2.15,2.32,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,;-2.42,4.73,;-2.64,3.2,;-1.92,5.36,;-3.45,5.16,)| Show InChI InChI=1S/C27H28FN5O5/c1-15-8-19-24(32-20(34)11-37-19)31-18(15)10-30-25-4-6-26(7-5-25,38-14-25)12-27(36)13-33-21(35)3-2-17-23(33)22(27)16(28)9-29-17/h2-3,8-9,30,36H,4-7,10-14H2,1H3,(H,31,32,34)/t25?,26?,27-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084047
(CHEMBL3425802)Show SMILES CCc1cc2OCC(=O)Nc2nc1CNC12CCC(C[C@]3(O)Cn4c5c3c(F)cnc5ccc4=O)(CC1)OC2 |r,wD:20.22,(-7.72,-1.98,;-7.26,-.82,;-8.23,.39,;-9.78,.16,;-10.75,1.37,;-12.28,1.14,;-13.25,2.35,;-12.68,3.79,;-13.46,4.76,;-11.15,4.02,;-10.18,2.81,;-8.65,3.05,;-7.67,1.83,;-6.14,2.07,;-5.58,3.52,;-4.07,3.76,;-3.13,2.5,;-1.59,2.68,;-1.21,4.14,;.33,3.93,;.93,2.51,;2.15,2.32,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,;-2.42,4.73,;-2.64,3.2,;-1.92,5.36,;-3.45,5.16,)| Show InChI InChI=1S/C28H30FN5O5/c1-2-16-9-20-25(33-21(35)12-38-20)32-19(16)11-31-26-5-7-27(8-6-26,39-15-26)13-28(37)14-34-22(36)4-3-18-24(34)23(28)17(29)10-30-18/h3-4,9-10,31,37H,2,5-8,11-15H2,1H3,(H,32,33,35)/t26?,27?,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084104
(CHEMBL3425816)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3OCCSc3cn2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.24,.38,;-9.77,.14,;-10.33,-1.3,;-11.86,-1.54,;-12.83,-.33,;-12.27,1.11,;-10.74,1.35,;-10.18,2.79,;-8.64,3.04,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)| Show InChI InChI=1S/C26H27FN4O4S/c27-17-11-29-18-1-2-21(32)31-14-26(33,22(17)23(18)31)13-25-5-3-24(4-6-25,15-35-25)30-10-16-9-19-20(12-28-16)36-8-7-34-19/h1-2,9,11-12,30,33H,3-8,10,13-15H2/t24?,25?,26-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084107
(CHEMBL3425818)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3OCCS(=O)(=O)c3cn2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.24,.38,;-9.77,.14,;-10.33,-1.3,;-11.86,-1.54,;-12.83,-.33,;-12.27,1.11,;-11.8,2.26,;-13.5,.89,;-10.74,1.35,;-10.18,2.79,;-8.64,3.04,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)| Show InChI InChI=1S/C26H27FN4O6S/c27-17-11-29-18-1-2-21(32)31-14-26(33,22(17)23(18)31)13-25-5-3-24(4-6-25,15-37-25)30-10-16-9-19-20(12-28-16)38(34,35)8-7-36-19/h1-2,9,11-12,30,33H,3-8,10,13-15H2/t24?,25?,26-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068001
(CHEMBL3400817)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3ccc2=O |r,wU:1.0,(-2.22,2.32,;-1,2.53,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;.92,2.51,;1.32,1,;,.24,;-1.3,1,;-2.62,.24,;-3.69,.87,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;1.32,-2.02,;2.64,-1.26,;2.64,.24,;3.71,.87,)| Show InChI InChI=1S/C26H26FN5O5/c27-16-10-28-17-2-4-20(34)32-13-26(35,21(16)22(17)32)12-25-7-5-24(6-8-25,14-37-25)29-9-15-1-3-18-23(30-15)31-19(33)11-36-18/h1-4,10,29,35H,5-9,11-14H2,(H,30,31,33)/t24?,25?,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084100
(CHEMBL3425813)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2ncc3OCCOc3c2C#N)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.6,3.03,;-10.14,2.78,;-10.69,1.34,;-12.22,1.11,;-12.78,-.33,;-11.81,-1.53,;-10.29,-1.3,;-9.73,.14,;-8.21,.38,;-7.24,-.83,;-6.48,-1.8,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)| Show InChI InChI=1S/C27H26FN5O5/c28-17-10-30-18-1-2-21(34)33-14-27(35,22(17)23(18)33)13-26-5-3-25(4-6-26,15-38-26)32-11-19-16(9-29)24-20(12-31-19)36-7-8-37-24/h1-2,10,12,32,35H,3-8,11,13-15H2/t25?,26?,27-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084110
(CHEMBL3425822)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCCOc3c2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.6,3.03,;-10.14,2.78,;-10.69,1.34,;-12.22,1.11,;-12.78,-.33,;-11.81,-1.53,;-10.29,-1.3,;-9.73,.14,;-8.21,.38,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)| Show InChI InChI=1S/C27H28FN3O5/c28-18-13-29-19-2-4-22(32)31-15-27(33,23(18)24(19)31)14-26-7-5-25(6-8-26,16-36-26)30-12-17-1-3-20-21(11-17)35-10-9-34-20/h1-4,11,13,30,33H,5-10,12,14-16H2/t25?,26?,27-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084117
(CHEMBL3425924)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCCNc3n2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.64,3.04,;-10.18,2.79,;-10.74,1.35,;-12.27,1.11,;-12.83,-.33,;-11.86,-1.54,;-10.33,-1.3,;-9.77,.14,;-8.24,.38,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)| Show InChI InChI=1S/C26H28FN5O4/c27-17-12-29-18-2-4-20(33)32-14-26(34,21(17)22(18)32)13-25-7-5-24(6-8-25,15-36-25)30-11-16-1-3-19-23(31-16)28-9-10-35-19/h1-4,12,30,34H,5-11,13-15H2,(H,28,31)/t24?,25?,26-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084102
(CHEMBL3425814)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2ncc3OCCOc3c2Cl)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.64,3.04,;-10.18,2.79,;-10.74,1.35,;-12.27,1.11,;-12.83,-.33,;-11.86,-1.54,;-10.33,-1.3,;-9.77,.14,;-8.24,.38,;-7.47,-.59,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)| Show InChI InChI=1S/C26H26ClFN4O5/c27-21-17(30-11-18-23(21)36-8-7-35-18)10-31-24-3-5-25(6-4-24,37-14-24)12-26(34)13-32-19(33)2-1-16-22(32)20(26)15(28)9-29-16/h1-2,9,11,31,34H,3-8,10,12-14H2/t24?,25?,26-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084108
(CHEMBL3425819)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCCOc3n2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.64,3.04,;-10.18,2.79,;-10.74,1.35,;-12.27,1.11,;-12.83,-.33,;-11.86,-1.54,;-10.33,-1.3,;-9.77,.14,;-8.24,.38,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)| Show InChI InChI=1S/C26H27FN4O5/c27-17-12-28-18-2-4-20(32)31-14-26(33,21(17)22(18)31)13-25-7-5-24(6-8-25,15-36-25)29-11-16-1-3-19-23(30-16)35-10-9-34-19/h1-4,12,29,33H,5-11,13-15H2/t24?,25?,26-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084112
(CHEMBL3425514)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3OCCOc3cc2Cl)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.61,3.03,;-10.14,2.8,;-11.1,4,;-12.62,3.77,;-13.19,2.34,;-12.22,1.13,;-10.7,1.36,;-9.74,.16,;-8.19,.39,;-7.42,-.58,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)| Show InChI InChI=1S/C27H27ClFN3O5/c28-17-10-21-20(35-7-8-36-21)9-16(17)11-31-25-3-5-26(6-4-25,37-15-25)13-27(34)14-32-22(33)2-1-19-24(32)23(27)18(29)12-30-19/h1-2,9-10,12,31,34H,3-8,11,13-15H2/t25?,26?,27-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084057
(CHEMBL3425811)Show SMILES CC1COc2cc(CNC34CCC(C[C@]5(O)Cn6c7c5c(F)cnc7ccc6=O)(CC3)OC4)ncc2O1 |r,wD:14.14,(-14.06,-.52,;-12.83,-.33,;-11.86,-1.54,;-10.33,-1.3,;-9.77,.14,;-8.24,.38,;-7.67,1.83,;-6.14,2.07,;-5.58,3.52,;-4.07,3.76,;-3.13,2.5,;-1.59,2.68,;-1.21,4.14,;.33,3.93,;.93,2.51,;2.15,2.32,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,;-2.42,4.73,;-2.64,3.2,;-1.92,5.36,;-3.45,5.16,;-8.64,3.04,;-10.18,2.79,;-10.74,1.35,;-12.27,1.11,)| Show InChI InChI=1S/C27H29FN4O5/c1-16-12-35-20-8-17(29-11-21(20)37-16)9-31-25-4-6-26(7-5-25,36-15-25)13-27(34)14-32-22(33)3-2-19-24(32)23(27)18(28)10-30-19/h2-3,8,10-11,16,31,34H,4-7,9,12-15H2,1H3/t16?,25?,26?,27-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084100
(CHEMBL3425813)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2ncc3OCCOc3c2C#N)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.6,3.03,;-10.14,2.78,;-10.69,1.34,;-12.22,1.11,;-12.78,-.33,;-11.81,-1.53,;-10.29,-1.3,;-9.73,.14,;-8.21,.38,;-7.24,-.83,;-6.48,-1.8,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)| Show InChI InChI=1S/C27H26FN5O5/c28-17-10-30-18-1-2-21(34)33-14-27(35,22(17)23(18)33)13-26-5-3-25(4-6-26,15-38-26)32-11-19-16(9-29)24-20(12-31-19)36-7-8-37-24/h1-2,10,12,32,35H,3-8,11,13-15H2/t25?,26?,27-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084117
(CHEMBL3425924)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCCNc3n2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.64,3.04,;-10.18,2.79,;-10.74,1.35,;-12.27,1.11,;-12.83,-.33,;-11.86,-1.54,;-10.33,-1.3,;-9.77,.14,;-8.24,.38,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)| Show InChI InChI=1S/C26H28FN5O4/c27-17-12-29-18-2-4-20(33)32-14-26(34,21(17)22(18)32)13-25-7-5-24(6-8-25,15-36-25)30-11-16-1-3-19-23(31-16)28-9-10-35-19/h1-4,12,30,34H,5-11,13-15H2,(H,28,31)/t24?,25?,26-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084121
(CHEMBL3425930)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCOc3c2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.63,3.04,;-10.19,2.82,;-10.74,1.37,;-12.19,.82,;-12.11,-.73,;-10.64,-1.13,;-9.78,.16,;-8.24,.37,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)| Show InChI InChI=1S/C26H26FN3O5/c27-17-11-28-18-2-4-21(31)30-13-26(32,22(17)23(18)30)12-25-7-5-24(6-8-25,14-35-25)29-10-16-1-3-19-20(9-16)34-15-33-19/h1-4,9,11,29,32H,5-8,10,12-15H2/t24?,25?,26-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084102
(CHEMBL3425814)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2ncc3OCCOc3c2Cl)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.64,3.04,;-10.18,2.79,;-10.74,1.35,;-12.27,1.11,;-12.83,-.33,;-11.86,-1.54,;-10.33,-1.3,;-9.77,.14,;-8.24,.38,;-7.47,-.59,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)| Show InChI InChI=1S/C26H26ClFN4O5/c27-21-17(30-11-18-23(21)36-8-7-35-18)10-31-24-3-5-25(6-4-24,37-14-24)12-26(34)13-32-19(33)2-1-16-22(32)20(26)15(28)9-29-16/h1-2,9,11,31,34H,3-8,10,12-14H2/t24?,25?,26-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084107
(CHEMBL3425818)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3OCCS(=O)(=O)c3cn2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.24,.38,;-9.77,.14,;-10.33,-1.3,;-11.86,-1.54,;-12.83,-.33,;-12.27,1.11,;-11.8,2.26,;-13.5,.89,;-10.74,1.35,;-10.18,2.79,;-8.64,3.04,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)| Show InChI InChI=1S/C26H27FN4O6S/c27-17-11-29-18-1-2-21(32)31-14-26(33,22(17)23(18)31)13-25-5-3-24(4-6-25,15-37-25)30-10-16-9-19-20(12-28-16)38(34,35)8-7-36-19/h1-2,9,11-12,30,33H,3-8,10,13-15H2/t24?,25?,26-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084109
(CHEMBL3425820)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3OCCOc3nn2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.24,.38,;-9.77,.14,;-10.33,-1.3,;-11.86,-1.54,;-12.83,-.33,;-12.27,1.11,;-10.74,1.35,;-10.18,2.79,;-8.64,3.04,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)| Show InChI InChI=1S/C25H26FN5O5/c26-16-11-27-17-1-2-19(32)31-13-25(33,20(16)21(17)31)12-24-5-3-23(4-6-24,14-36-24)28-10-15-9-18-22(30-29-15)35-8-7-34-18/h1-2,9,11,28,33H,3-8,10,12-14H2/t23?,24?,25-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084113
(CHEMBL3425824)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCCOc3c2Cl)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.6,3.03,;-10.14,2.78,;-10.69,1.34,;-12.22,1.11,;-12.78,-.33,;-11.81,-1.53,;-10.29,-1.3,;-9.73,.14,;-8.21,.38,;-7.43,-.59,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)| Show InChI InChI=1S/C27H27ClFN3O5/c28-22-16(1-3-19-24(22)36-10-9-35-19)11-31-25-5-7-26(8-6-25,37-15-25)13-27(34)14-32-20(33)4-2-18-23(32)21(27)17(29)12-30-18/h1-4,12,31,34H,5-11,13-15H2/t25?,26?,27-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084057
(CHEMBL3425811)Show SMILES CC1COc2cc(CNC34CCC(C[C@]5(O)Cn6c7c5c(F)cnc7ccc6=O)(CC3)OC4)ncc2O1 |r,wD:14.14,(-14.06,-.52,;-12.83,-.33,;-11.86,-1.54,;-10.33,-1.3,;-9.77,.14,;-8.24,.38,;-7.67,1.83,;-6.14,2.07,;-5.58,3.52,;-4.07,3.76,;-3.13,2.5,;-1.59,2.68,;-1.21,4.14,;.33,3.93,;.93,2.51,;2.15,2.32,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,;-2.42,4.73,;-2.64,3.2,;-1.92,5.36,;-3.45,5.16,;-8.64,3.04,;-10.18,2.79,;-10.74,1.35,;-12.27,1.11,)| Show InChI InChI=1S/C27H29FN4O5/c1-16-12-35-20-8-17(29-11-21(20)37-16)9-31-25-4-6-26(7-5-25,36-15-25)13-27(34)14-32-22(33)3-2-19-24(32)23(27)18(28)10-30-19/h2-3,8,10-11,16,31,34H,4-7,9,12-15H2,1H3/t16?,25?,26?,27-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084119
(CHEMBL3425927)Show SMILES CN1CCOc2ccc(CNC34CCC(C[C@]5(O)Cn6c7c5c(F)cnc7ccc6=O)(CC3)OC4)nc12 |r,wD:16.16,(-9.56,-2.27,;-10.33,-1.3,;-11.86,-1.54,;-12.83,-.33,;-12.27,1.11,;-10.74,1.35,;-10.18,2.79,;-8.64,3.04,;-7.67,1.83,;-6.14,2.07,;-5.58,3.52,;-4.07,3.76,;-3.13,2.5,;-1.59,2.68,;-1.21,4.14,;.33,3.93,;.93,2.51,;2.15,2.32,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,;-2.42,4.73,;-2.64,3.2,;-1.92,5.36,;-3.45,5.16,;-8.24,.38,;-9.77,.14,)| Show InChI InChI=1S/C27H30FN5O4/c1-32-10-11-36-20-4-2-17(31-24(20)32)12-30-25-6-8-26(9-7-25,37-16-25)14-27(35)15-33-21(34)5-3-19-23(33)22(27)18(28)13-29-19/h2-5,13,30,35H,6-12,14-16H2,1H3/t25?,26?,27-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084047
(CHEMBL3425802)Show SMILES CCc1cc2OCC(=O)Nc2nc1CNC12CCC(C[C@]3(O)Cn4c5c3c(F)cnc5ccc4=O)(CC1)OC2 |r,wD:20.22,(-7.72,-1.98,;-7.26,-.82,;-8.23,.39,;-9.78,.16,;-10.75,1.37,;-12.28,1.14,;-13.25,2.35,;-12.68,3.79,;-13.46,4.76,;-11.15,4.02,;-10.18,2.81,;-8.65,3.05,;-7.67,1.83,;-6.14,2.07,;-5.58,3.52,;-4.07,3.76,;-3.13,2.5,;-1.59,2.68,;-1.21,4.14,;.33,3.93,;.93,2.51,;2.15,2.32,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,;-2.42,4.73,;-2.64,3.2,;-1.92,5.36,;-3.45,5.16,)| Show InChI InChI=1S/C28H30FN5O5/c1-2-16-9-20-25(33-21(35)12-38-20)32-19(16)11-31-26-5-7-27(8-6-26,39-15-26)13-28(37)14-34-22(36)4-3-18-24(34)23(28)17(29)10-30-18/h3-4,9-10,31,37H,2,5-8,11-15H2,1H3,(H,32,33,35)/t26?,27?,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084118
(CHEMBL3425926)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3NCCNc3n2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.64,3.04,;-10.18,2.79,;-10.74,1.35,;-12.27,1.11,;-12.83,-.33,;-11.86,-1.54,;-10.33,-1.3,;-9.77,.14,;-8.24,.38,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)| Show InChI InChI=1S/C26H29FN6O3/c27-17-12-30-18-3-4-20(34)33-14-26(35,21(17)22(18)33)13-25-7-5-24(6-8-25,15-36-25)31-11-16-1-2-19-23(32-16)29-10-9-28-19/h1-4,12,28,31,35H,5-11,13-15H2,(H,29,32)/t24?,25?,26-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084099
(CHEMBL3425812)Show SMILES CC1COc2cnc(CNC34CCC(C[C@]5(O)Cn6c7c5c(F)cnc7ccc6=O)(CC3)OC4)cc2O1 |r,wD:15.15,(-12.31,-2.7,;-11.86,-1.54,;-12.83,-.33,;-12.27,1.11,;-10.74,1.35,;-10.18,2.79,;-8.64,3.04,;-7.67,1.83,;-6.14,2.07,;-5.58,3.52,;-4.07,3.76,;-3.13,2.5,;-1.59,2.68,;-1.21,4.14,;.33,3.93,;.93,2.51,;2.15,2.32,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,;-2.42,4.73,;-2.64,3.2,;-1.92,5.36,;-3.45,5.16,;-8.24,.38,;-9.77,.14,;-10.33,-1.3,)| Show InChI InChI=1S/C27H29FN4O5/c1-16-12-35-21-11-29-17(8-20(21)37-16)9-31-25-4-6-26(7-5-25,36-15-25)13-27(34)14-32-22(33)3-2-19-24(32)23(27)18(28)10-30-19/h2-3,8,10-11,16,31,34H,4-7,9,12-15H2,1H3/t16?,25?,26?,27-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084044
(CHEMBL3425799)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2nc3NC(=O)COc3cc2F)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.65,3.05,;-10.18,2.81,;-11.15,4.02,;-12.68,3.79,;-13.46,4.76,;-13.25,2.35,;-12.28,1.14,;-10.75,1.37,;-9.78,.16,;-8.23,.39,;-7.46,-.58,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)| Show InChI InChI=1S/C26H25F2N5O5/c27-14-7-18-23(32-19(34)10-37-18)31-17(14)9-30-24-3-5-25(6-4-24,38-13-24)11-26(36)12-33-20(35)2-1-16-22(33)21(26)15(28)8-29-16/h1-2,7-8,30,36H,3-6,9-13H2,(H,31,32,34)/t24?,25?,26-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084046
(CHEMBL3425801)Show SMILES Cc1cc2OCC(=O)Nc2nc1CNC12CCC(C[C@]3(O)Cn4c5c3c(F)cnc5ccc4=O)(CC1)OC2 |r,wD:19.21,(-7.46,-.58,;-8.23,.39,;-9.78,.16,;-10.75,1.37,;-12.28,1.14,;-13.25,2.35,;-12.68,3.79,;-13.46,4.76,;-11.15,4.02,;-10.18,2.81,;-8.65,3.05,;-7.67,1.83,;-6.14,2.07,;-5.58,3.52,;-4.07,3.76,;-3.13,2.5,;-1.59,2.68,;-1.21,4.14,;.33,3.93,;.93,2.51,;2.15,2.32,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,;-2.42,4.73,;-2.64,3.2,;-1.92,5.36,;-3.45,5.16,)| Show InChI InChI=1S/C27H28FN5O5/c1-15-8-19-24(32-20(34)11-37-19)31-18(15)10-30-25-4-6-26(7-5-25,38-14-25)12-27(36)13-33-21(35)3-2-17-23(33)22(27)16(28)9-29-17/h2-3,8-9,30,36H,4-7,10-14H2,1H3,(H,31,32,34)/t25?,26?,27-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084104
(CHEMBL3425816)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3OCCSc3cn2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.24,.38,;-9.77,.14,;-10.33,-1.3,;-11.86,-1.54,;-12.83,-.33,;-12.27,1.11,;-10.74,1.35,;-10.18,2.79,;-8.64,3.04,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)| Show InChI InChI=1S/C26H27FN4O4S/c27-17-11-29-18-1-2-21(32)31-14-26(33,22(17)23(18)31)13-25-5-3-24(4-6-25,15-35-25)30-10-16-9-19-20(12-28-16)36-8-7-34-19/h1-2,9,11-12,30,33H,3-8,10,13-15H2/t24?,25?,26-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084105
(CHEMBL3425817)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3c(OCCS3(=O)=O)cn2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.24,.38,;-9.77,.14,;-10.74,1.35,;-12.27,1.11,;-12.83,-.33,;-11.86,-1.54,;-10.33,-1.3,;-9.11,-1.08,;-10.81,-2.45,;-10.18,2.79,;-8.64,3.04,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)| Show InChI InChI=1S/C26H27FN4O6S/c27-17-11-29-18-1-2-21(32)31-14-26(33,22(17)23(18)31)13-25-5-3-24(4-6-25,15-37-25)30-10-16-9-20-19(12-28-16)36-7-8-38(20,34)35/h1-2,9,11-12,30,33H,3-8,10,13-15H2/t24?,25?,26-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084116
(CHEMBL3425827)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc(Cl)c3OCCOc3c2Cl)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.6,3.03,;-10.14,2.78,;-10.91,3.74,;-10.69,1.34,;-12.22,1.11,;-12.78,-.33,;-11.81,-1.53,;-10.29,-1.3,;-9.73,.14,;-8.21,.38,;-7.43,-.59,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)| Show InChI InChI=1S/C27H26Cl2FN3O5/c28-16-9-15(21(29)24-23(16)36-7-8-37-24)10-32-25-3-5-26(6-4-25,38-14-25)12-27(35)13-33-19(34)2-1-18-22(33)20(27)17(30)11-31-18/h1-2,9,11,32,35H,3-8,10,12-14H2/t25?,26?,27-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084105
(CHEMBL3425817)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3c(OCCS3(=O)=O)cn2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.24,.38,;-9.77,.14,;-10.74,1.35,;-12.27,1.11,;-12.83,-.33,;-11.86,-1.54,;-10.33,-1.3,;-9.11,-1.08,;-10.81,-2.45,;-10.18,2.79,;-8.64,3.04,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)| Show InChI InChI=1S/C26H27FN4O6S/c27-17-11-29-18-1-2-21(32)31-14-26(33,22(17)23(18)31)13-25-5-3-24(4-6-25,15-37-25)30-10-16-9-20-19(12-28-16)36-7-8-38(20,34)35/h1-2,9,11-12,30,33H,3-8,10,13-15H2/t24?,25?,26-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084109
(CHEMBL3425820)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3OCCOc3nn2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.24,.38,;-9.77,.14,;-10.33,-1.3,;-11.86,-1.54,;-12.83,-.33,;-12.27,1.11,;-10.74,1.35,;-10.18,2.79,;-8.64,3.04,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)| Show InChI InChI=1S/C25H26FN5O5/c26-16-11-27-17-1-2-19(32)31-13-25(33,20(16)21(17)31)12-24-5-3-23(4-6-24,14-36-24)28-10-15-9-18-22(30-29-15)35-8-7-34-18/h1-2,9,11,28,33H,3-8,10,12-14H2/t23?,24?,25-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084113
(CHEMBL3425824)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCCOc3c2Cl)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.6,3.03,;-10.14,2.78,;-10.69,1.34,;-12.22,1.11,;-12.78,-.33,;-11.81,-1.53,;-10.29,-1.3,;-9.73,.14,;-8.21,.38,;-7.43,-.59,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)| Show InChI InChI=1S/C27H27ClFN3O5/c28-22-16(1-3-19-24(22)36-10-9-35-19)11-31-25-5-7-26(8-6-25,37-15-25)13-27(34)14-32-20(33)4-2-18-23(32)21(27)17(29)12-30-18/h1-4,12,31,34H,5-11,13-15H2/t25?,26?,27-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084118
(CHEMBL3425926)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3NCCNc3n2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.64,3.04,;-10.18,2.79,;-10.74,1.35,;-12.27,1.11,;-12.83,-.33,;-11.86,-1.54,;-10.33,-1.3,;-9.77,.14,;-8.24,.38,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)| Show InChI InChI=1S/C26H29FN6O3/c27-17-12-30-18-3-4-20(34)33-14-26(35,21(17)22(18)33)13-25-7-5-24(6-8-25,15-36-25)31-11-16-1-2-19-23(32-16)29-10-9-28-19/h1-4,12,28,31,35H,5-11,13-15H2,(H,29,32)/t24?,25?,26-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084112
(CHEMBL3425514)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3OCCOc3cc2Cl)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.61,3.03,;-10.14,2.8,;-11.1,4,;-12.62,3.77,;-13.19,2.34,;-12.22,1.13,;-10.7,1.36,;-9.74,.16,;-8.19,.39,;-7.42,-.58,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)| Show InChI InChI=1S/C27H27ClFN3O5/c28-17-10-21-20(35-7-8-36-21)9-16(17)11-31-25-3-5-26(6-4-25,37-15-25)13-27(34)14-32-22(33)2-1-19-24(32)23(27)18(29)12-30-19/h1-2,9-10,12,31,34H,3-8,11,13-15H2/t25?,26?,27-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084111
(CHEMBL3425823)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3OCCOc3cc2F)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.61,3.03,;-10.14,2.8,;-11.1,4,;-12.62,3.77,;-13.19,2.34,;-12.22,1.13,;-10.7,1.36,;-9.74,.16,;-8.19,.39,;-7.42,-.58,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)| Show InChI InChI=1S/C27H27F2N3O5/c28-17-10-21-20(35-7-8-36-21)9-16(17)11-31-25-3-5-26(6-4-25,37-15-25)13-27(34)14-32-22(33)2-1-19-24(32)23(27)18(29)12-30-19/h1-2,9-10,12,31,34H,3-8,11,13-15H2/t25?,26?,27-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084116
(CHEMBL3425827)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc(Cl)c3OCCOc3c2Cl)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.6,3.03,;-10.14,2.78,;-10.91,3.74,;-10.69,1.34,;-12.22,1.11,;-12.78,-.33,;-11.81,-1.53,;-10.29,-1.3,;-9.73,.14,;-8.21,.38,;-7.43,-.59,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)| Show InChI InChI=1S/C27H26Cl2FN3O5/c28-16-9-15(21(29)24-23(16)36-7-8-37-24)10-32-25-3-5-26(6-4-25,38-14-25)12-27(35)13-33-19(34)2-1-18-22(33)20(27)17(30)11-31-18/h1-2,9,11,32,35H,3-8,10,12-14H2/t25?,26?,27-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084099
(CHEMBL3425812)Show SMILES CC1COc2cnc(CNC34CCC(C[C@]5(O)Cn6c7c5c(F)cnc7ccc6=O)(CC3)OC4)cc2O1 |r,wD:15.15,(-12.31,-2.7,;-11.86,-1.54,;-12.83,-.33,;-12.27,1.11,;-10.74,1.35,;-10.18,2.79,;-8.64,3.04,;-7.67,1.83,;-6.14,2.07,;-5.58,3.52,;-4.07,3.76,;-3.13,2.5,;-1.59,2.68,;-1.21,4.14,;.33,3.93,;.93,2.51,;2.15,2.32,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,;-2.42,4.73,;-2.64,3.2,;-1.92,5.36,;-3.45,5.16,;-8.24,.38,;-9.77,.14,;-10.33,-1.3,)| Show InChI InChI=1S/C27H29FN4O5/c1-16-12-35-21-11-29-17(8-20(21)37-16)9-31-25-4-6-26(7-5-25,36-15-25)13-27(34)14-32-22(33)3-2-19-24(32)23(27)18(28)10-30-19/h2-3,8,10-11,16,31,34H,4-7,9,12-15H2,1H3/t16?,25?,26?,27-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084108
(CHEMBL3425819)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCCOc3n2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.64,3.04,;-10.18,2.79,;-10.74,1.35,;-12.27,1.11,;-12.83,-.33,;-11.86,-1.54,;-10.33,-1.3,;-9.77,.14,;-8.24,.38,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)| Show InChI InChI=1S/C26H27FN4O5/c27-17-12-28-18-2-4-20(32)31-14-26(33,21(17)22(18)31)13-25-7-5-24(6-8-25,15-36-25)29-11-16-1-3-19-23(30-16)35-10-9-34-19/h1-4,12,29,33H,5-11,13-15H2/t24?,25?,26-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084111
(CHEMBL3425823)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3OCCOc3cc2F)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.61,3.03,;-10.14,2.8,;-11.1,4,;-12.62,3.77,;-13.19,2.34,;-12.22,1.13,;-10.7,1.36,;-9.74,.16,;-8.19,.39,;-7.42,-.58,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)| Show InChI InChI=1S/C27H27F2N3O5/c28-17-10-21-20(35-7-8-36-21)9-16(17)11-31-25-3-5-26(6-4-25,37-15-25)13-27(34)14-32-22(33)2-1-19-24(32)23(27)18(29)12-30-19/h1-2,9-10,12,31,34H,3-8,11,13-15H2/t25?,26?,27-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084119
(CHEMBL3425927)Show SMILES CN1CCOc2ccc(CNC34CCC(C[C@]5(O)Cn6c7c5c(F)cnc7ccc6=O)(CC3)OC4)nc12 |r,wD:16.16,(-9.56,-2.27,;-10.33,-1.3,;-11.86,-1.54,;-12.83,-.33,;-12.27,1.11,;-10.74,1.35,;-10.18,2.79,;-8.64,3.04,;-7.67,1.83,;-6.14,2.07,;-5.58,3.52,;-4.07,3.76,;-3.13,2.5,;-1.59,2.68,;-1.21,4.14,;.33,3.93,;.93,2.51,;2.15,2.32,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,;-2.42,4.73,;-2.64,3.2,;-1.92,5.36,;-3.45,5.16,;-8.24,.38,;-9.77,.14,)| Show InChI InChI=1S/C27H30FN5O4/c1-32-10-11-36-20-4-2-17(31-24(20)32)12-30-25-6-8-26(9-7-25,37-16-25)14-27(35)15-33-21(34)5-3-19-23(33)22(27)18(28)13-29-19/h2-5,13,30,35H,6-12,14-16H2,1H3/t25?,26?,27-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084121
(CHEMBL3425930)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCOc3c2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.63,3.04,;-10.19,2.82,;-10.74,1.37,;-12.19,.82,;-12.11,-.73,;-10.64,-1.13,;-9.78,.16,;-8.24,.37,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)| Show InChI InChI=1S/C26H26FN3O5/c27-17-11-28-18-2-4-21(31)30-13-26(32,22(17)23(18)30)12-25-7-5-24(6-8-25,14-35-25)29-10-16-1-3-19-20(9-16)34-15-33-19/h1-4,9,11,29,32H,5-8,10,12-15H2/t24?,25?,26-/m0/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 | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of MK499 from human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084045
(CHEMBL3425800)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2nc3NC(=O)COc3cc2Cl)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.65,3.05,;-10.18,2.81,;-11.15,4.02,;-12.68,3.79,;-13.46,4.76,;-13.25,2.35,;-12.28,1.14,;-10.75,1.37,;-9.78,.16,;-8.23,.39,;-7.46,-.58,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)| Show InChI InChI=1S/C26H25ClFN5O5/c27-14-7-18-23(32-19(34)10-37-18)31-17(14)9-30-24-3-5-25(6-4-24,38-13-24)11-26(36)12-33-20(35)2-1-16-22(33)21(26)15(28)8-29-16/h1-2,7-8,30,36H,3-6,9-13H2,(H,31,32,34)/t24?,25?,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.26E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068001
(CHEMBL3400817)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3ccc2=O |r,wU:1.0,(-2.22,2.32,;-1,2.53,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;.92,2.51,;1.32,1,;,.24,;-1.3,1,;-2.62,.24,;-3.69,.87,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;1.32,-2.02,;2.64,-1.26,;2.64,.24,;3.71,.87,)| Show InChI InChI=1S/C26H26FN5O5/c27-16-10-28-17-2-4-20(34)32-13-26(35,21(16)22(17)32)12-25-7-5-24(6-8-25,14-37-25)29-9-15-1-3-18-23(30-15)31-19(33)11-36-18/h1-4,10,29,35H,5-9,11-14H2,(H,30,31,33)/t24?,25?,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.74E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084044
(CHEMBL3425799)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2nc3NC(=O)COc3cc2F)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.65,3.05,;-10.18,2.81,;-11.15,4.02,;-12.68,3.79,;-13.46,4.76,;-13.25,2.35,;-12.28,1.14,;-10.75,1.37,;-9.78,.16,;-8.23,.39,;-7.46,-.58,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)| Show InChI InChI=1S/C26H25F2N5O5/c27-14-7-18-23(32-19(34)10-37-18)31-17(14)9-30-24-3-5-25(6-4-24,38-13-24)11-26(36)12-33-20(35)2-1-16-22(33)21(26)15(28)8-29-16/h1-2,7-8,30,36H,3-6,9-13H2,(H,31,32,34)/t24?,25?,26-/m0/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 | 3.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084056
(CHEMBL3425810)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3OCCOc3cn2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.24,.38,;-9.77,.14,;-10.33,-1.3,;-11.86,-1.54,;-12.83,-.33,;-12.27,1.11,;-10.74,1.35,;-10.18,2.79,;-8.64,3.04,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)| Show InChI InChI=1S/C26H27FN4O5/c27-17-11-29-18-1-2-21(32)31-14-26(33,22(17)23(18)31)13-25-5-3-24(4-6-25,15-36-25)30-10-16-9-19-20(12-28-16)35-8-7-34-19/h1-2,9,11-12,30,33H,3-8,10,13-15H2/t24?,25?,26-/m0/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 | 7.64E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
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 | 1.40E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 25: 2473-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.063
BindingDB Entry DOI: 10.7270/Q2NZ89BD |
More data for this
Ligand-Target Pair | |
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