Found 27 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)) | BDBM50068005
(CHEMBL3400821)Show SMILES CO[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:2.1,(-1.72,5.11,;-2.94,4.91,;-3.47,3.47,;-2.52,2.26,;-.98,2.47,;-.6,1.02,;.93,.83,;1.87,2.08,;.44,1.53,;.22,3.06,;1.25,3.49,;-.27,3.69,;3.37,1.84,;3.93,.39,;5.46,.15,;6.43,1.35,;7.97,1.1,;8.53,-.34,;10.05,-.58,;10.61,-2.03,;9.64,-3.23,;10.08,-4.38,;8.11,-2.99,;7.56,-1.54,;6.03,-1.3,;-4.92,4.74,;-6.22,3.88,;-5.74,2.44,;-4.27,2.13,;-3.78,.69,;-2.57,.44,;-4.79,-.43,;-6.28,-.12,;-6.74,1.31,;-8.23,1.63,;-8.71,3.07,;-7.71,4.19,;-8.09,5.37,)| Show InChI InChI=1S/C27H28FN5O5/c1-36-27(14-33-21(35)5-3-18-23(33)22(27)17(28)11-29-18)13-26-8-6-25(7-9-26,15-38-26)30-10-16-2-4-19-24(31-16)32-20(34)12-37-19/h2-5,11,30H,6-10,12-15H2,1H3,(H,31,32,34)/t25?,26?,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 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 by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068003
(CHEMBL3400819)Show SMILES Fc1cnc2ccc(=O)n3CC(CC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c1c23 |(-3.68,.87,;-2.61,.24,;-2.61,-1.26,;-1.3,-2.01,;,-1.26,;1.32,-2.01,;2.63,-1.26,;2.63,.24,;3.7,.87,;1.32,1,;.92,2.5,;-1,2.52,;-2.01,3.68,;-1.51,5.15,;-.04,4.83,;.81,6.12,;.12,7.51,;-.03,5.99,;-1.49,6.48,;-1.41,7.59,;-2.27,6.32,;1.01,8.75,;2.55,8.6,;3.45,9.85,;2.81,11.26,;3.73,12.52,;5.26,12.37,;6.16,13.62,;7.69,13.47,;8.33,12.07,;9.56,11.95,;7.43,10.81,;5.9,10.96,;5,9.71,;-1.3,1,;,.24,)| Show InChI InChI=1S/C26H26FN5O4/c27-17-11-28-18-2-4-21(34)32-12-15(22(17)23(18)32)9-26-7-5-25(6-8-26,14-36-26)29-10-16-1-3-19-24(30-16)31-20(33)13-35-19/h1-4,11,15,29H,5-10,12-14H2,(H,30,31,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.23E+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 by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068004
(CHEMBL3400820)Show SMILES Fc1cnc2ccc(=O)n3CC(F)(CC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c1c23 |(-3.69,.87,;-2.62,.24,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;1.32,-2.02,;2.64,-1.26,;2.64,.24,;3.71,.87,;1.32,1,;.92,2.51,;-1,2.53,;-2.22,2.32,;-.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,;-1.3,1,;,.24,)| Show InChI InChI=1S/C26H25F2N5O4/c27-16-10-29-17-2-4-20(35)33-13-26(28,21(16)22(17)33)12-25-7-5-24(6-8-25,14-37-25)30-9-15-1-3-18-23(31-15)32-19(34)11-36-18/h1-4,10,30H,5-9,11-14H2,(H,31,32,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.38E+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 by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068003
(CHEMBL3400819)Show SMILES Fc1cnc2ccc(=O)n3CC(CC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c1c23 |(-3.68,.87,;-2.61,.24,;-2.61,-1.26,;-1.3,-2.01,;,-1.26,;1.32,-2.01,;2.63,-1.26,;2.63,.24,;3.7,.87,;1.32,1,;.92,2.5,;-1,2.52,;-2.01,3.68,;-1.51,5.15,;-.04,4.83,;.81,6.12,;.12,7.51,;-.03,5.99,;-1.49,6.48,;-1.41,7.59,;-2.27,6.32,;1.01,8.75,;2.55,8.6,;3.45,9.85,;2.81,11.26,;3.73,12.52,;5.26,12.37,;6.16,13.62,;7.69,13.47,;8.33,12.07,;9.56,11.95,;7.43,10.81,;5.9,10.96,;5,9.71,;-1.3,1,;,.24,)| Show InChI InChI=1S/C26H26FN5O4/c27-17-11-28-18-2-4-21(34)32-12-15(22(17)23(18)32)9-26-7-5-25(6-8-26,14-36-26)29-10-16-1-3-19-24(30-16)31-20(33)13-35-19/h1-4,11,15,29H,5-10,12-14H2,(H,30,31,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.52E+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 by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068003
(CHEMBL3400819)Show SMILES Fc1cnc2ccc(=O)n3CC(CC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c1c23 |(-3.68,.87,;-2.61,.24,;-2.61,-1.26,;-1.3,-2.01,;,-1.26,;1.32,-2.01,;2.63,-1.26,;2.63,.24,;3.7,.87,;1.32,1,;.92,2.5,;-1,2.52,;-2.01,3.68,;-1.51,5.15,;-.04,4.83,;.81,6.12,;.12,7.51,;-.03,5.99,;-1.49,6.48,;-1.41,7.59,;-2.27,6.32,;1.01,8.75,;2.55,8.6,;3.45,9.85,;2.81,11.26,;3.73,12.52,;5.26,12.37,;6.16,13.62,;7.69,13.47,;8.33,12.07,;9.56,11.95,;7.43,10.81,;5.9,10.96,;5,9.71,;-1.3,1,;,.24,)| Show InChI InChI=1S/C26H26FN5O4/c27-17-11-28-18-2-4-21(34)32-12-15(22(17)23(18)32)9-26-7-5-25(6-8-26,14-36-26)29-10-16-1-3-19-24(30-16)31-20(33)13-35-19/h1-4,11,15,29H,5-10,12-14H2,(H,30,31,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.52E+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 by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068003
(CHEMBL3400819)Show SMILES Fc1cnc2ccc(=O)n3CC(CC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c1c23 |(-3.68,.87,;-2.61,.24,;-2.61,-1.26,;-1.3,-2.01,;,-1.26,;1.32,-2.01,;2.63,-1.26,;2.63,.24,;3.7,.87,;1.32,1,;.92,2.5,;-1,2.52,;-2.01,3.68,;-1.51,5.15,;-.04,4.83,;.81,6.12,;.12,7.51,;-.03,5.99,;-1.49,6.48,;-1.41,7.59,;-2.27,6.32,;1.01,8.75,;2.55,8.6,;3.45,9.85,;2.81,11.26,;3.73,12.52,;5.26,12.37,;6.16,13.62,;7.69,13.47,;8.33,12.07,;9.56,11.95,;7.43,10.81,;5.9,10.96,;5,9.71,;-1.3,1,;,.24,)| Show InChI InChI=1S/C26H26FN5O4/c27-17-11-28-18-2-4-21(34)32-12-15(22(17)23(18)32)9-26-7-5-25(6-8-26,14-36-26)29-10-16-1-3-19-24(30-16)31-20(33)13-35-19/h1-4,11,15,29H,5-10,12-14H2,(H,30,31,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.58E+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 by Patch express assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068003
(CHEMBL3400819)Show SMILES Fc1cnc2ccc(=O)n3CC(CC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c1c23 |(-3.68,.87,;-2.61,.24,;-2.61,-1.26,;-1.3,-2.01,;,-1.26,;1.32,-2.01,;2.63,-1.26,;2.63,.24,;3.7,.87,;1.32,1,;.92,2.5,;-1,2.52,;-2.01,3.68,;-1.51,5.15,;-.04,4.83,;.81,6.12,;.12,7.51,;-.03,5.99,;-1.49,6.48,;-1.41,7.59,;-2.27,6.32,;1.01,8.75,;2.55,8.6,;3.45,9.85,;2.81,11.26,;3.73,12.52,;5.26,12.37,;6.16,13.62,;7.69,13.47,;8.33,12.07,;9.56,11.95,;7.43,10.81,;5.9,10.96,;5,9.71,;-1.3,1,;,.24,)| Show InChI InChI=1S/C26H26FN5O4/c27-17-11-28-18-2-4-21(34)32-12-15(22(17)23(18)32)9-26-7-5-25(6-8-26,14-36-26)29-10-16-1-3-19-24(30-16)31-20(33)13-35-19/h1-4,11,15,29H,5-10,12-14H2,(H,30,31,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.58E+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 by Patch express assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068000
(CHEMBL3305167)Show SMILES COc1ccc2ncc(F)c(C[C@H](O)C34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |r| Show InChI InChI=1S/C26H28FN5O5/c1-35-22-5-3-18-23(32-22)16(17(27)12-28-18)10-20(33)26-8-6-25(7-9-26,14-37-26)29-11-15-2-4-19-24(30-15)31-21(34)13-36-19/h2-5,12,20,29,33H,6-11,13-14H2,1H3,(H,30,31,34)/t20-,25?,26?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.80E+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 by Patch express assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068003
(CHEMBL3400819)Show SMILES Fc1cnc2ccc(=O)n3CC(CC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c1c23 |(-3.68,.87,;-2.61,.24,;-2.61,-1.26,;-1.3,-2.01,;,-1.26,;1.32,-2.01,;2.63,-1.26,;2.63,.24,;3.7,.87,;1.32,1,;.92,2.5,;-1,2.52,;-2.01,3.68,;-1.51,5.15,;-.04,4.83,;.81,6.12,;.12,7.51,;-.03,5.99,;-1.49,6.48,;-1.41,7.59,;-2.27,6.32,;1.01,8.75,;2.55,8.6,;3.45,9.85,;2.81,11.26,;3.73,12.52,;5.26,12.37,;6.16,13.62,;7.69,13.47,;8.33,12.07,;9.56,11.95,;7.43,10.81,;5.9,10.96,;5,9.71,;-1.3,1,;,.24,)| Show InChI InChI=1S/C26H26FN5O4/c27-17-11-28-18-2-4-21(34)32-12-15(22(17)23(18)32)9-26-7-5-25(6-8-26,14-36-26)29-10-16-1-3-19-24(30-16)31-20(33)13-35-19/h1-4,11,15,29H,5-10,12-14H2,(H,30,31,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.16E+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 by Patch express assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068006
(CHEMBL3400822)Show SMILES CO[C@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3ccc2=O |r,wU:2.1,(-1.72,5.11,;-2.94,4.91,;-3.47,3.47,;-2.52,2.26,;-.98,2.47,;-.6,1.02,;.93,.83,;1.87,2.08,;.44,1.53,;.22,3.06,;1.25,3.49,;-.27,3.69,;3.37,1.84,;3.93,.39,;5.46,.15,;6.43,1.35,;7.97,1.1,;8.53,-.34,;10.05,-.58,;10.61,-2.03,;9.64,-3.23,;10.08,-4.38,;8.11,-2.99,;7.56,-1.54,;6.03,-1.3,;-4.92,4.74,;-6.22,3.88,;-5.74,2.44,;-4.27,2.13,;-3.78,.69,;-2.57,.44,;-4.79,-.43,;-6.28,-.12,;-6.74,1.31,;-8.23,1.63,;-8.71,3.07,;-7.71,4.19,;-8.09,5.37,)| Show InChI InChI=1S/C27H28FN5O5/c1-36-27(14-33-21(35)5-3-18-23(33)22(27)17(28)11-29-18)13-26-8-6-25(7-9-26,15-38-26)30-10-16-2-4-19-24(31-16)32-20(34)12-37-19/h2-5,11,30H,6-10,12-15H2,1H3,(H,31,32,34)/t25?,26?,27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.45E+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 by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068000
(CHEMBL3305167)Show SMILES COc1ccc2ncc(F)c(C[C@H](O)C34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |r| Show InChI InChI=1S/C26H28FN5O5/c1-35-22-5-3-18-23(32-22)16(17(27)12-28-18)10-20(33)26-8-6-25(7-9-26,14-37-26)29-11-15-2-4-19-24(30-15)31-21(34)13-36-19/h2-5,12,20,29,33H,6-11,13-14H2,1H3,(H,30,31,34)/t20-,25?,26?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.60E+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 by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068016
(CHEMBL3402185)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(Cl)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/C26H26ClN5O5/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
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.33E+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 by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068013
(CHEMBL3402182)Show SMILES Cc1cc(=O)n2C[C@](O)(CC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c3c(F)cnc1c23 |r,wD:7.7,(1.32,-3.26,;1.32,-2.02,;2.64,-1.26,;2.64,.24,;3.71,.87,;1.32,1,;.92,2.51,;-1,2.53,;-2.22,2.32,;-.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,;-1.3,1,;-2.62,.24,;-3.69,.87,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;,.24,)| Show InChI InChI=1S/C27H28FN5O5/c1-15-8-20(35)33-13-27(36,21-17(28)10-29-22(15)23(21)33)12-26-6-4-25(5-7-26,14-38-26)30-9-16-2-3-18-24(31-16)32-19(34)11-37-18/h2-3,8,10,30,36H,4-7,9,11-14H2,1H3,(H,31,32,34)/t25?,26?,27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >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 by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068012
(CHEMBL3402181)Show SMILES Cc1cc(=O)n2C[C@@](O)(CC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c3c(F)cnc1c23 |r,wU:7.7,(1.32,-3.26,;1.32,-2.02,;2.64,-1.26,;2.64,.24,;3.71,.87,;1.32,1,;.92,2.51,;-1,2.53,;-2.22,2.32,;-.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,;-1.3,1,;-2.62,.24,;-3.69,.87,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;,.24,)| Show InChI InChI=1S/C27H28FN5O5/c1-15-8-20(35)33-13-27(36,21-17(28)10-29-22(15)23(21)33)12-26-6-4-25(5-7-26,14-38-26)30-9-16-2-3-18-24(31-16)32-19(34)11-37-18/h2-3,8,10,30,36H,4-7,9,11-14H2,1H3,(H,31,32,34)/t25?,26?,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >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 by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068010
(CHEMBL3402179)Show SMILES O[C@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3cc(F)c2=O |r,wD: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,;3.71,-1.88,;2.64,.24,;3.71,.87,)| Show InChI InChI=1S/C26H25F2N5O5/c27-15-7-17-21-20(16(28)9-29-17)26(36,12-33(21)23(15)35)11-25-5-3-24(4-6-25,13-38-25)30-8-14-1-2-18-22(31-14)32-19(34)10-37-18/h1-2,7,9,30,36H,3-6,8,10-13H2,(H,31,32,34)/t24?,25?,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >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 by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068002
(CHEMBL3400818)Show SMILES O[C@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3ccc2=O |r,wD: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-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >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 by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068014
(CHEMBL3402183)Show SMILES OC1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3c(Cl)cc2=O |(-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,;1.32,-3.26,;2.64,-1.26,;2.64,.24,;3.71,.87,)| Show InChI InChI=1S/C26H25ClFN5O5/c27-15-7-19(35)33-12-26(36,20-16(28)9-29-21(15)22(20)33)11-25-5-3-24(4-6-25,13-38-25)30-8-14-1-2-17-23(31-14)32-18(34)10-37-17/h1-2,7,9,30,36H,3-6,8,10-13H2,(H,31,32,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >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 by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068008
(CHEMBL3400824)Show SMILES O[C@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)CN2c3c1c(F)cnc3CCC2=O |r,wD: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/C26H28FN5O5/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/h1,3,10,29,35H,2,4-9,11-14H2,(H,30,31,33)/t24?,25?,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >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 by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068015
(CHEMBL3402184)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)c(Cl)nc3ccc2=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,;-3.69,-1.88,;-1.3,-2.02,;,-1.26,;1.32,-2.02,;2.64,-1.26,;2.64,.24,;3.71,.87,)| Show InChI InChI=1S/C26H25ClFN5O5/c27-22-20(28)19-21-15(31-22)2-4-18(35)33(21)12-26(19,36)11-25-7-5-24(6-8-25,13-38-25)29-9-14-1-3-16-23(30-14)32-17(34)10-37-16/h1-4,29,36H,5-13H2,(H,30,32,34)/t24?,25?,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >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 by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068017
(CHEMBL3402186)Show SMILES O[C@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(Cl)cnc3ccc2=O |r,wD: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/C26H26ClN5O5/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-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >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 by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068011
(CHEMBL3402180)Show SMILES OC1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3cc(Cl)c2=O |(-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,;3.71,-1.88,;2.64,.24,;3.71,.87,)| Show InChI InChI=1S/C26H25ClFN5O5/c27-15-7-17-21-20(16(28)9-29-17)26(36,12-33(21)23(15)35)11-25-5-3-24(4-6-25,13-38-25)30-8-14-1-2-18-22(31-14)32-19(34)10-37-18/h1-2,7,9,30,36H,3-6,8,10-13H2,(H,31,32,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >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 by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068018
(CHEMBL3402187)Show SMILES COc1cnc2ccc(=O)n3C[C@@](O)(CC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c1c23 |r,wU:12.12,(-5.03,.4,;-3.96,1.02,;-2.62,.24,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;1.32,-2.02,;2.64,-1.26,;2.64,.24,;3.71,.87,;1.32,1,;.92,2.51,;-1,2.53,;-2.22,2.32,;-.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,;-1.3,1,;,.24,)| Show InChI InChI=1S/C27H29N5O6/c1-36-19-11-28-17-3-5-21(34)32-14-27(35,22(19)23(17)32)13-26-8-6-25(7-9-26,15-38-26)29-10-16-2-4-18-24(30-16)31-20(33)12-37-18/h2-5,11,29,35H,6-10,12-15H2,1H3,(H,30,31,33)/t25?,26?,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >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 by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
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
UniProtKB/TrEMBL
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
Inhibition of human ERG by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068007
(CHEMBL3400823)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/C26H28FN5O5/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/h1,3,10,29,35H,2,4-9,11-14H2,(H,30,31,33)/t24?,25?,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >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 by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068009
(CHEMBL3402178)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3cc(F)c2=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,;3.71,-1.88,;2.64,.24,;3.71,.87,)| Show InChI InChI=1S/C26H25F2N5O5/c27-15-7-17-21-20(16(28)9-29-17)26(36,12-33(21)23(15)35)11-25-5-3-24(4-6-25,13-38-25)30-8-14-1-2-18-22(31-14)32-19(34)10-37-18/h1-2,7,9,30,36H,3-6,8,10-13H2,(H,31,32,34)/t24?,25?,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
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 by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
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
UniProtKB/TrEMBL
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 by Patch express assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068002
(CHEMBL3400818)Show SMILES O[C@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3ccc2=O |r,wD: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-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.94E+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 by Patch express assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
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