Found 251 hits with Last Name = 'miesel' and Initial = 'l' 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)) | BDBM50082445
(CHEMBL3422978)Show SMILES FC(F)(F)c1cnc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2c1 |(-5.09,-.93,;-4.02,-1.54,;-4.02,-2.78,;-5.09,-2.16,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,)| Show InChI InChI=1S/C26H26F3N5O3/c27-26(28,29)17-11-19-22(31-12-17)16(4-10-30-19)3-5-25-8-6-24(7-9-25,15-37-25)32-13-18-1-2-20-23(33-18)34-21(35)14-36-20/h1-2,4,10-12,32H,3,5-9,13-15H2,(H,33,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.390 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082380
(CHEMBL3422952)Show SMILES COc1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c(F)cnc2cc1F |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;2.67,.77,;3.74,1.39,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-3.75,-1.39,)| Show InChI InChI=1S/C26H27F2N5O4/c1-35-24-17(27)10-19-22(33-24)16(18(28)12-29-19)4-5-26-8-6-25(7-9-26,14-37-26)30-11-15-2-3-20-23(31-15)32-21(34)13-36-20/h2-3,10,12,30H,4-9,11,13-14H2,1H3,(H,31,32,34) | PDB
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 | 0.730 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082429
(CHEMBL3422970)Show SMILES Cc1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2cc1C#N |(-3.75,1.39,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-4.02,-1.54,;-5.09,-2.16,)| Show InChI InChI=1S/C27H28N6O3/c1-17-19(13-28)12-21-24(31-17)18(5-11-29-21)4-6-27-9-7-26(8-10-27,16-36-27)30-14-20-2-3-22-25(32-20)33-23(34)15-35-22/h2-3,5,11-12,30H,4,6-10,14-16H2,1H3,(H,32,33,34) | PDB
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 | 0.870 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082385
(CHEMBL3422959)Show SMILES Fc1cnc2cc(cnc2c1CCC12CCC(CC1)(CO2)NCc1ccc2OCC(=O)Nc2n1)C(F)(F)F Show InChI InChI=1S/C26H25F4N5O3/c27-18-12-31-19-9-15(26(28,29)30)10-32-22(19)17(18)3-4-25-7-5-24(6-8-25,14-38-25)33-11-16-1-2-20-23(34-16)35-21(36)13-37-20/h1-2,9-10,12,33H,3-8,11,13-14H2,(H,34,35,36) | PDB
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 | 0.890 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082440
(CHEMBL3422977)Show SMILES FC(F)(F)c1ccc2nccc(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |(-5.09,.93,;-4.02,1.54,;-4.02,2.78,;-5.09,2.16,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,)| Show InChI InChI=1S/C26H26F3N5O3/c27-26(28,29)20-4-2-18-22(33-20)16(6-12-30-18)5-7-25-10-8-24(9-11-25,15-37-25)31-13-17-1-3-19-23(32-17)34-21(35)14-36-19/h1-4,6,12,31H,5,7-11,13-15H2,(H,32,34,35) | PDB
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 | 0.990 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082382
(CHEMBL3422954)Show SMILES CCOc1cc(C)c2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |(-5.09,3.71,;-4.02,3.09,;-4.02,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;-1.33,-2.77,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;3.74,1.39,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.05,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,)| Show InChI InChI=1S/C28H32FN5O4/c1-3-36-23-12-17(2)24-25(34-23)19(20(29)14-30-24)6-7-28-10-8-27(9-11-28,16-38-28)31-13-18-4-5-21-26(32-18)33-22(35)15-37-21/h4-5,12,14,31H,3,6-11,13,15-16H2,1-2H3,(H,32,33,35) | PDB
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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082435
(CHEMBL3422976)Show SMILES CN(C)c1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2cc1F |(-4.02,2.78,;-4.02,1.54,;-5.09,.93,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-3.75,-1.39,)| Show InChI InChI=1S/C27H31FN6O3/c1-34(2)25-19(28)13-20-23(33-25)17(6-12-29-20)5-7-27-10-8-26(9-11-27,16-37-27)30-14-18-3-4-21-24(31-18)32-22(35)15-36-21/h3-4,6,12-13,30H,5,7-11,14-16H2,1-2H3,(H,31,32,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082390
(CHEMBL3422964)Show SMILES COc1cc2nccc(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2nc1OC |(-4.02,-2.78,;-4.02,-1.54,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,;-2.69,.77,;-4.02,1.54,;-4.02,2.78,)| Show InChI InChI=1S/C27H31N5O5/c1-34-21-13-19-23(32-25(21)35-2)17(6-12-28-19)5-7-27-10-8-26(9-11-27,16-37-27)29-14-18-3-4-20-24(30-18)31-22(33)15-36-20/h3-4,6,12-13,29H,5,7-11,14-16H2,1-2H3,(H,30,31,33) | 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 | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082394
(CHEMBL3422966)Show SMILES COc1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2cc1C#N |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-4.02,-1.54,;-5.09,-2.16,)| Show InChI InChI=1S/C27H28N6O4/c1-35-25-18(13-28)12-20-23(33-25)17(5-11-29-20)4-6-27-9-7-26(8-10-27,16-37-27)30-14-19-2-3-21-24(31-19)32-22(34)15-36-21/h2-3,5,11-12,30H,4,6-10,14-16H2,1H3,(H,31,32,34) | 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 | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082383
(CHEMBL3422957)Show SMILES COc1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c(F)cnc2cc1C(F)(F)F |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;2.67,.77,;3.74,1.39,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-4.02,-1.54,;-5.09,-.93,;-4.02,-2.78,;-5.09,-2.16,)| Show InChI InChI=1S/C27H27F4N5O4/c1-38-24-17(27(29,30)31)10-19-22(36-24)16(18(28)12-32-19)4-5-26-8-6-25(7-9-26,14-40-26)33-11-15-2-3-20-23(34-15)35-21(37)13-39-20/h2-3,10,12,33H,4-9,11,13-14H2,1H3,(H,34,35,37) | 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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082388
(CHEMBL3422962)Show SMILES O=C1COc2ccc(CNC34CCC(CCc5c(cnc6ccc(nc56)C#N)C#N)(CC3)OC4)nc2N1 |(10.96,15.37,;9.76,15.09,;8.71,16.22,;7.21,15.87,;6.76,14.39,;5.26,14.04,;4.8,12.56,;5.86,11.44,;5.41,9.96,;3.9,9.61,;3.46,8.16,;4.56,7.06,;4.17,5.57,;2.68,5.4,;2.67,3.85,;1.34,3.08,;1.33,1.54,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;-4.02,1.54,;-5.09,2.16,;4,1.54,;5.07,2.16,;2.27,6.67,;3.81,6.67,;1.58,6.27,;1.98,7.74,;7.37,11.8,;7.81,13.27,;9.31,13.62,)| Show InChI InChI=1S/C27H25N7O3/c28-11-17-13-30-21-3-1-18(12-29)32-24(21)20(17)5-6-27-9-7-26(8-10-27,16-37-27)31-14-19-2-4-22-25(33-19)34-23(35)15-36-22/h1-4,13,31H,5-10,14-16H2,(H,33,34,35) | 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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082427
(CHEMBL3422968)Show SMILES COc1cc(OC)c2nccc(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.39,-3.71,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,)| Show InChI InChI=1S/C27H31N5O5/c1-34-20-13-22(35-2)32-23-17(6-12-28-24(20)23)5-7-27-10-8-26(9-11-27,16-37-27)29-14-18-3-4-19-25(30-18)31-21(33)15-36-19/h3-4,6,12-13,29H,5,7-11,14-16H2,1-2H3,(H,30,31,33) | 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 | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082430
(CHEMBL3422971)Show SMILES COc1cc2nccc(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2nc1C#N |(-4.02,-2.78,;-4.02,-1.54,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,;-2.69,.77,;-4.02,1.54,;-5.09,2.16,)| Show InChI InChI=1S/C27H28N6O4/c1-35-22-12-19-24(32-20(22)13-28)17(5-11-29-19)4-6-27-9-7-26(8-10-27,16-37-27)30-14-18-2-3-21-25(31-18)33-23(34)15-36-21/h2-3,5,11-12,30H,4,6-10,14-16H2,1H3,(H,31,33,34) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082432
(CHEMBL3422973)Show SMILES Cc1cc(nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc12)C#N |(-1.33,-2.77,;-1.33,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;-4.02,1.54,;-5.09,2.16,)| Show InChI InChI=1S/C27H28N6O3/c1-17-12-20(13-28)31-24-18(5-11-29-23(17)24)4-6-27-9-7-26(8-10-27,16-36-27)30-14-19-2-3-21-25(32-19)33-22(34)15-35-21/h2-3,5,11-12,30H,4,6-10,14-16H2,1H3,(H,32,33,34) | 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 | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082520
(CHEMBL3422983)Show SMILES COc1ccc2ncc(C#N)c(CC(O)C34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;4,1.54,;5.07,2.16,;1.33,1.54,;1.34,3.08,;2.67,3.85,;3.74,3.23,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,)| Show InChI InChI=1S/C27H28N6O5/c1-36-23-5-3-19-24(33-23)18(16(11-28)12-29-19)10-21(34)27-8-6-26(7-9-27,15-38-27)30-13-17-2-4-20-25(31-17)32-22(35)14-37-20/h2-5,12,21,30,34H,6-10,13-15H2,1H3,(H,31,32,35) | 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 | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082520
(CHEMBL3422983)Show SMILES COc1ccc2ncc(C#N)c(CC(O)C34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;4,1.54,;5.07,2.16,;1.33,1.54,;1.34,3.08,;2.67,3.85,;3.74,3.23,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,)| Show InChI InChI=1S/C27H28N6O5/c1-36-23-5-3-19-24(33-23)18(16(11-28)12-29-19)10-21(34)27-8-6-26(7-9-27,15-38-27)30-13-17-2-4-20-25(31-17)32-22(35)14-37-20/h2-5,12,21,30,34H,6-10,13-15H2,1H3,(H,31,32,35) | 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 | 2.13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082434
(CHEMBL3422975)Show SMILES CN(C)c1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2cc1C(F)(F)F |(-4.02,2.78,;-4.02,1.54,;-5.09,.93,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-4.02,-1.54,;-5.09,-.93,;-4.02,-2.78,;-5.09,-2.16,)| Show InChI InChI=1S/C28H31F3N6O3/c1-37(2)25-19(28(29,30)31)13-20-23(36-25)17(6-12-32-20)5-7-27-10-8-26(9-11-27,16-40-27)33-14-18-3-4-21-24(34-18)35-22(38)15-39-21/h3-4,6,12-13,33H,5,7-11,14-16H2,1-2H3,(H,34,35,38) | 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 | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082391
(CHEMBL3422965)Show SMILES COc1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2cc1F |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-3.75,-1.39,)| Show InChI InChI=1S/C26H28FN5O4/c1-34-24-18(27)12-19-22(32-24)16(5-11-28-19)4-6-26-9-7-25(8-10-26,15-36-26)29-13-17-2-3-20-23(30-17)31-21(33)14-35-20/h2-3,5,11-12,29H,4,6-10,13-15H2,1H3,(H,30,31,33) | 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 | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082381
(CHEMBL3422953)Show SMILES COc1cc(C)c2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;-1.33,-2.77,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;3.74,1.39,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.05,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,)| Show InChI InChI=1S/C27H30FN5O4/c1-16-11-22(35-2)33-24-18(19(28)13-29-23(16)24)5-6-27-9-7-26(8-10-27,15-37-27)30-12-17-3-4-20-25(31-17)32-21(34)14-36-20/h3-4,11,13,30H,5-10,12,14-15H2,1-2H3,(H,31,32,34) | 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 | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082376
(CHEMBL3422948)Show SMILES Nc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |(-3.75,1.39,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;3.74,1.39,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,)| Show InChI InChI=1S/C25H27FN6O3/c26-17-12-28-18-2-4-20(27)31-22(18)16(17)5-6-25-9-7-24(8-10-25,14-35-25)29-11-15-1-3-19-23(30-15)32-21(33)13-34-19/h1-4,12,29H,5-11,13-14H2,(H2,27,31)(H,30,32,33) | 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 | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082387
(CHEMBL3422961)Show SMILES Fc1cnc2cc(Cl)cnc2c1CCC12CCC(CC1)(CO2)NCc1ccc2OCC(=O)Nc2n1 |(3.74,1.39,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-3.75,-1.39,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,)| Show InChI InChI=1S/C25H25ClFN5O3/c26-15-9-19-22(29-10-15)17(18(27)12-28-19)3-4-25-7-5-24(6-8-25,14-35-25)30-11-16-1-2-20-23(31-16)32-21(33)13-34-20/h1-2,9-10,12,30H,3-8,11,13-14H2,(H,31,32,33) | 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 | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082340
(CHEMBL3422947)Show SMILES Fc1cnc2ccc(nc2c1CCC12CCC(CC1)(CO2)NCc1ccc2OCC(=O)Nc2n1)C#N |(-12.24,-4.65,;-12.56,-5.84,;-14.04,-6.24,;-14.44,-7.72,;-13.36,-8.81,;-13.75,-10.3,;-12.66,-11.41,;-11.17,-11.01,;-10.78,-9.5,;-11.87,-8.41,;-11.47,-6.93,;-9.98,-6.52,;-9.58,-5.03,;-8.11,-4.64,;-7.75,-3.13,;-6.28,-2.7,;-5.35,-3.86,;-5.52,-5.26,;-6.99,-5.7,;-6.24,-4.82,;-7.05,-3.51,;-4.02,-3.09,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-10.08,-12.1,;-9.21,-12.97,)| Show InChI InChI=1S/C26H25FN6O3/c27-19-13-29-20-3-1-16(11-28)31-23(20)18(19)5-6-26-9-7-25(8-10-26,15-36-26)30-12-17-2-4-21-24(32-17)33-22(34)14-35-21/h1-4,13,30H,5-10,12,14-15H2,(H,32,33,34) | 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 | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082389
(CHEMBL3422963)Show SMILES COc1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2cc1Cl |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-3.75,-1.39,)| Show InChI InChI=1S/C26H28ClN5O4/c1-34-24-18(27)12-19-22(32-24)16(5-11-28-19)4-6-26-9-7-25(8-10-26,15-36-26)29-13-17-2-3-20-23(30-17)31-21(33)14-35-20/h2-3,5,11-12,29H,4,6-10,13-15H2,1H3,(H,30,31,33) | 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 | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082428
(CHEMBL3422969)Show SMILES COc1ccc2nc(OC)cc(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;4.01,-1.54,;5.07,-.92,;2.67,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,)| Show InChI InChI=1S/C27H31N5O5/c1-34-22-6-4-19-24(32-22)17(13-23(30-19)35-2)7-8-27-11-9-26(10-12-27,16-37-27)28-14-18-3-5-20-25(29-18)31-21(33)15-36-20/h3-6,13,28H,7-12,14-16H2,1-2H3,(H,29,31,33) | 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 | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082332
(CHEMBL3422765)Show SMILES Oc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |(-3.75,1.39,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;3.74,1.39,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,)| Show InChI InChI=1S/C25H26FN5O4/c26-17-12-27-18-2-4-20(32)30-22(18)16(17)5-6-25-9-7-24(8-10-25,14-35-25)28-11-15-1-3-19-23(29-15)31-21(33)13-34-19/h1-4,12,28H,5-11,13-14H2,(H,30,32)(H,29,31,33) | 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 | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082517
(CHEMBL3422980)Show SMILES Clc1cnc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2c1 |(-3.75,-1.39,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,)| Show InChI InChI=1S/C25H26ClN5O3/c26-17-11-19-22(28-12-17)16(4-10-27-19)3-5-25-8-6-24(7-9-25,15-34-25)29-13-18-1-2-20-23(30-18)31-21(32)14-33-20/h1-2,4,10-12,29H,3,5-9,13-15H2,(H,30,31,32) | 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 | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082409
(CHEMBL3422967)Show SMILES COc1cc(C)c2nccc(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;-1.33,-2.77,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.05,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,)| Show InChI InChI=1S/C27H31N5O4/c1-17-13-22(34-2)32-24-18(6-12-28-23(17)24)5-7-27-10-8-26(9-11-27,16-36-27)29-14-19-3-4-20-25(30-19)31-21(33)15-35-20/h3-4,6,12-13,29H,5,7-11,14-16H2,1-2H3,(H,30,31,33) | 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 | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082433
(CHEMBL3422974)Show SMILES Cc1cc(nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc12)S(C)(=O)=O |(-1.33,-2.77,;-1.33,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.05,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;-4.02,1.54,;-5.09,2.16,;-5.09,.93,;-4.02,2.78,)| Show InChI InChI=1S/C27H31N5O5S/c1-17-13-22(38(2,34)35)32-24-18(6-12-28-23(17)24)5-7-27-10-8-26(9-11-27,16-37-27)29-14-19-3-4-20-25(30-19)31-21(33)15-36-20/h3-4,6,12-13,29H,5,7-11,14-16H2,1-2H3,(H,30,31,33) | 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 | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082519
(CHEMBL3422982)Show SMILES CCOC(=O)c1c(OC)cnc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc12 |(-3.72,-6.03,;-2.65,-5.41,;-2.66,-3.86,;-1.33,-3.08,;-.26,-3.7,;-1.33,-1.54,;-2.69,-.77,;-4.02,-1.54,;-5.09,-.92,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,)| Show InChI InChI=1S/C29H33N5O6/c1-3-38-27(36)23-21(37-2)15-31-24-18(7-13-30-25(23)24)6-8-29-11-9-28(10-12-29,17-40-29)32-14-19-4-5-20-26(33-19)34-22(35)16-39-20/h4-5,7,13,15,32H,3,6,8-12,14,16-17H2,1-2H3,(H,33,34,35) | 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 | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | 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)) | BDBM50082377
(CHEMBL3422949)Show SMILES CN(C)c1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |(-4.02,2.78,;-4.02,1.54,;-5.09,.93,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;3.74,1.39,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,)| Show InChI InChI=1S/C27H31FN6O3/c1-34(2)22-6-4-20-24(32-22)18(19(28)14-29-20)7-8-27-11-9-26(10-12-27,16-37-27)30-13-17-3-5-21-25(31-17)33-23(35)15-36-21/h3-6,14,30H,7-13,15-16H2,1-2H3,(H,31,33,35) | 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 | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082337
(CHEMBL3422768)Show SMILES COC(=O)c1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |(-5.09,3.71,;-4.02,3.09,;-4.02,1.54,;-5.09,.93,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;3.74,1.39,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,)| Show InChI InChI=1S/C27H28FN5O5/c1-36-25(35)20-4-3-19-23(32-20)17(18(28)13-29-19)6-7-27-10-8-26(9-11-27,15-38-27)30-12-16-2-5-21-24(31-16)33-22(34)14-37-21/h2-5,13,30H,6-12,14-15H2,1H3,(H,31,33,34) | 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 | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082378
(CHEMBL3422950)Show SMILES Fc1cnc2ccc(nc2c1CCC12CCC(CC1)(CO2)NCc1ccc2OCC(=O)Nc2n1)N1CCOCC1 |(3.74,1.39,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;-4.02,1.55,;-4.02,3.09,;-5.36,3.86,;-6.69,3.09,;-6.69,1.54,;-5.36,.77,)| Show InChI InChI=1S/C29H33FN6O4/c30-21-16-31-22-2-4-24(36-11-13-38-14-12-36)34-26(22)20(21)5-6-29-9-7-28(8-10-29,18-40-29)32-15-19-1-3-23-27(33-19)35-25(37)17-39-23/h1-4,16,32H,5-15,17-18H2,(H,33,35,37) | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082384
(CHEMBL3422958)Show SMILES Cc1cc(nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c(F)cnc12)S(C)(=O)=O |(-1.33,-2.77,;-1.33,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.05,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;2.67,.77,;3.74,1.39,;2.67,-.77,;1.33,-1.54,;,-.77,;-4.02,1.54,;-5.09,2.16,;-5.09,.93,;-4.02,2.78,)| Show InChI InChI=1S/C27H30FN5O5S/c1-16-11-22(39(2,35)36)33-24-18(19(28)13-29-23(16)24)5-6-27-9-7-26(8-10-27,15-38-27)30-12-17-3-4-20-25(31-17)32-21(34)14-37-20/h3-4,11,13,30H,5-10,12,14-15H2,1-2H3,(H,31,32,34) | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082431
(CHEMBL3422972)Show SMILES COc1cc2nccc(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2nc1C(O)=O Show InChI InChI=1S/C27H29N5O6/c1-36-20-12-18-22(32-23(20)25(34)35)16(5-11-28-18)4-6-27-9-7-26(8-10-27,15-38-27)29-13-17-2-3-19-24(30-17)31-21(33)14-37-19/h2-3,5,11-12,29H,4,6-10,13-15H2,1H3,(H,34,35)(H,30,31,33) | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082379
(CHEMBL3421646)Show SMILES COc1cc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2nc1OC |(-4.02,-2.78,;-4.02,-1.54,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;3.74,1.39,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,;-2.69,.77,;-4.02,1.54,;-4.02,2.78,)| Show InChI InChI=1S/C27H30FN5O5/c1-35-21-11-19-23(33-25(21)36-2)17(18(28)13-29-19)5-6-27-9-7-26(8-10-27,15-38-27)30-12-16-3-4-20-24(31-16)32-22(34)14-37-20/h3-4,11,13,30H,5-10,12,14-15H2,1-2H3,(H,31,32,34) | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | 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)) | BDBM50082454
(CHEMBL3422979)Show SMILES COc1cnc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2c1 |(-4.02,-2.78,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,)| Show InChI InChI=1S/C26H29N5O4/c1-33-19-12-20-23(28-14-19)17(5-11-27-20)4-6-26-9-7-25(8-10-26,16-35-26)29-13-18-2-3-21-24(30-18)31-22(32)15-34-21/h2-3,5,11-12,14,29H,4,6-10,13,15-16H2,1H3,(H,30,31,32) | 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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | 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)) | BDBM50082518
(CHEMBL3422981)Show SMILES Fc1cnc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2c1 |(-3.75,-1.39,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,)| Show InChI InChI=1S/C25H26FN5O3/c26-17-11-19-22(28-12-17)16(4-10-27-19)3-5-25-8-6-24(7-9-25,15-34-25)29-13-18-1-2-20-23(30-18)31-21(32)14-33-20/h1-2,4,10-12,29H,3,5-9,13-15H2,(H,30,31,32) | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50082386
(CHEMBL3422960)Show SMILES CN(C)c1cnc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c(F)cnc2c1 |(-4.02,-2.78,;-4.02,-1.54,;-5.09,-.93,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;2.67,.77,;3.74,1.39,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,)| Show InChI InChI=1S/C27H31FN6O3/c1-34(2)18-11-21-24(30-13-18)19(20(28)14-29-21)5-6-27-9-7-26(8-10-27,16-37-27)31-12-17-3-4-22-25(32-17)33-23(35)15-36-22/h3-4,11,13-14,31H,5-10,12,15-16H2,1-2H3,(H,32,33,35) | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | 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
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 18 | 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: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | 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
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK499 binding to human ERG |
Bioorg Med Chem Lett 25: 2409-15 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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 | |
Search and Browse
