Found 61 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)) | BDBM50113872
(CHEMBL3605139)Show SMILES NC1CC1COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 Show InChI InChI=1S/C29H33FN6O4/c30-20-13-32-22-2-4-25(39-14-17-11-21(17)31)36-26(22)19(20)5-6-29-9-7-28(8-10-29,16-40-29)33-12-18-1-3-23-27(34-18)35-24(37)15-38-23/h1-4,13,17,21,33H,5-12,14-16,31H2,(H,34,35,37) | 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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113830
(CHEMBL3605140)Show SMILES CCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 Show InChI InChI=1S/C27H30FN5O4/c1-2-35-23-6-4-20-24(33-23)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)32-22(34)15-36-21/h3-6,14,30H,2,7-13,15-16H2,1H3,(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 | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113937
(CHEMBL3605119)Show SMILES COC(=O)CCCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 Show InChI InChI=1S/C31H36FN5O6/c1-40-27(39)4-2-3-15-41-26-8-6-23-28(37-26)21(22(32)17-33-23)9-10-31-13-11-30(12-14-31,19-43-31)34-16-20-5-7-24-29(35-20)36-25(38)18-42-24/h5-8,17,34H,2-4,9-16,18-19H2,1H3,(H,35,36,38) | 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 | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113833
(CHEMBL3605145)Show SMILES Fc1cnc2ccc(OC3CCC3)nc2c1CCC12CCC(CC1)(CO2)NCc1ccc2OCC(=O)Nc2n1 Show InChI InChI=1S/C29H32FN5O4/c30-21-15-31-22-5-7-25(39-19-2-1-3-19)35-26(22)20(21)8-9-29-12-10-28(11-13-29,17-38-29)32-14-18-4-6-23-27(33-18)34-24(36)16-37-23/h4-7,15,19,32H,1-3,8-14,16-17H2,(H,33,34,36) | 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 | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113943
(CHEMBL3605004)Show SMILES COC(=O)[C@H]1C[C@@H]1COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |r| Show InChI InChI=1S/C31H34FN5O6/c1-40-29(39)21-12-18(21)15-42-26-5-3-23-27(37-26)20(22(32)14-33-23)6-7-31-10-8-30(9-11-31,17-43-31)34-13-19-2-4-24-28(35-19)36-25(38)16-41-24/h2-5,14,18,21,34H,6-13,15-17H2,1H3,(H,35,36,38)/t18-,21+,30?,31?/m1/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 | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113941
(CHEMBL3605002)Show SMILES COC(=O)[C@@H]1C[C@@H]1COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |r| Show InChI InChI=1S/C31H34FN5O6/c1-40-29(39)21-12-18(21)15-42-26-5-3-23-27(37-26)20(22(32)14-33-23)6-7-31-10-8-30(9-11-31,17-43-31)34-13-19-2-4-24-28(35-19)36-25(38)16-41-24/h2-5,14,18,21,34H,6-13,15-17H2,1H3,(H,35,36,38)/t18-,21-,30?,31?/m1/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 | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113844
(CHEMBL3605123)Show SMILES OCCCCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 Show InChI InChI=1S/C30H36FN5O5/c31-22-17-32-23-5-7-26(39-15-3-1-2-14-37)36-27(23)21(22)8-9-30-12-10-29(11-13-30,19-41-30)33-16-20-4-6-24-28(34-20)35-25(38)18-40-24/h4-7,17,33,37H,1-3,8-16,18-19H2,(H,34,35,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113836
(CHEMBL3605147)Show SMILES FC(F)Oc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 Show InChI InChI=1S/C26H26F3N5O4/c27-17-12-30-18-2-4-21(38-24(28)29)34-22(18)16(17)5-6-26-9-7-25(8-10-26,14-37-26)31-11-15-1-3-19-23(32-15)33-20(35)13-36-19/h1-4,12,24,31H,5-11,13-14H2,(H,32,33,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113949
(CHEMBL3605012)Show SMILES Oc1c[nH]c(CCOc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)cc1=O Show InChI InChI=1S/C32H33FN6O6/c33-22-15-35-23-2-4-28(43-12-6-19-13-24(40)25(41)16-34-19)39-29(23)21(22)5-7-32-10-8-31(9-11-32,18-45-32)36-14-20-1-3-26-30(37-20)38-27(42)17-44-26/h1-4,13,15-16,36,41H,5-12,14,17-18H2,(H,34,40)(H,37,38,42) | 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 | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113935
(CHEMBL3605117)Show SMILES CCOC(=O)CCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 Show InChI InChI=1S/C31H36FN5O6/c1-2-40-27(39)4-3-15-41-26-8-6-23-28(37-26)21(22(32)17-33-23)9-10-31-13-11-30(12-14-31,19-43-31)34-16-20-5-7-24-29(35-20)36-25(38)18-42-24/h5-8,17,34H,2-4,9-16,18-19H2,1H3,(H,35,36,38) | 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 | 1.00E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113834
(CHEMBL3605146)Show SMILES Fc1cnc2ccc(OCC(F)(F)F)nc2c1CCC12CCC(CC1)(CO2)NCc1ccc2OCC(=O)Nc2n1 Show InChI InChI=1S/C27H27F4N5O4/c28-18-12-32-19-2-4-22(39-15-27(29,30)31)36-23(19)17(18)5-6-26-9-7-25(8-10-26,14-40-26)33-11-16-1-3-20-24(34-16)35-21(37)13-38-20/h1-4,12,33H,5-11,13-15H2,(H,34,35,37) | 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 | 1.10E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113945
(CHEMBL3605006)Show SMILES COC(=O)C1(COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)CC1 Show InChI InChI=1S/C31H34FN5O6/c1-40-28(39)29(8-9-29)17-42-25-5-3-22-26(37-25)20(21(32)15-33-22)6-7-31-12-10-30(11-13-31,18-43-31)34-14-19-2-4-23-27(35-19)36-24(38)16-41-23/h2-5,15,34H,6-14,16-18H2,1H3,(H,35,36,38) | 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 | 1.60E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113848
(CHEMBL3605127)Show SMILES OCC(O)COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 Show InChI InChI=1S/C28H32FN5O6/c29-20-12-30-21-2-4-24(39-14-18(36)13-35)34-25(21)19(20)5-6-28-9-7-27(8-10-28,16-40-28)31-11-17-1-3-22-26(32-17)33-23(37)15-38-22/h1-4,12,18,31,35-36H,5-11,13-16H2,(H,32,33,37) | 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 | 2.30E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113841
(CHEMBL3605121)Show SMILES OCCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 Show InChI InChI=1S/C28H32FN5O5/c29-20-15-30-21-3-5-24(37-13-1-12-35)34-25(21)19(20)6-7-28-10-8-27(9-11-28,17-39-28)31-14-18-2-4-22-26(32-18)33-23(36)16-38-22/h2-5,15,31,35H,1,6-14,16-17H2,(H,32,33,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 2.40E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113842
(CHEMBL3605122)Show SMILES OCCCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 Show InChI InChI=1S/C29H34FN5O5/c30-21-16-31-22-4-6-25(38-14-2-1-13-36)35-26(22)20(21)7-8-29-11-9-28(10-12-29,18-40-29)32-15-19-3-5-23-27(33-19)34-24(37)17-39-23/h3-6,16,32,36H,1-2,7-15,17-18H2,(H,33,34,37) | 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 | 2.40E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113853
(CHEMBL3605130)Show SMILES O[C@H]1C[C@@H](COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)C[C@H]1O |r| Show InChI InChI=1S/C31H36FN5O6/c32-21-14-33-22-2-4-27(42-15-18-11-23(38)24(39)12-18)37-28(22)20(21)5-6-31-9-7-30(8-10-31,17-43-31)34-13-19-1-3-25-29(35-19)36-26(40)16-41-25/h1-4,14,18,23-24,34,38-39H,5-13,15-17H2,(H,35,36,40)/t18-,23+,24-,30?,31? | 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 | 2.70E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113846
(CHEMBL3605126)Show SMILES OCC1(COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)CC1 Show InChI InChI=1S/C30H34FN5O5/c31-21-14-32-22-2-4-25(40-17-28(16-37)7-8-28)36-26(22)20(21)5-6-30-11-9-29(10-12-30,18-41-30)33-13-19-1-3-23-27(34-19)35-24(38)15-39-23/h1-4,14,33,37H,5-13,15-18H2,(H,34,35,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 2.70E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113876
(CHEMBL3605015)Show SMILES N[C@H]1COC[C@@H]1Oc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |r| Show InChI InChI=1S/C29H33FN6O5/c30-19-12-32-21-2-4-25(41-23-14-38-13-20(23)31)36-26(21)18(19)5-6-29-9-7-28(8-10-29,16-40-29)33-11-17-1-3-22-27(34-17)35-24(37)15-39-22/h1-4,12,20,23,33H,5-11,13-16,31H2,(H,34,35,37)/t20-,23-,28?,29?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113838
(CHEMBL3605120)Show SMILES OCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 Show InChI InChI=1S/C27H30FN5O5/c28-19-14-29-20-2-4-23(36-12-11-34)33-24(20)18(19)5-6-27-9-7-26(8-10-27,16-38-27)30-13-17-1-3-21-25(31-17)32-22(35)15-37-21/h1-4,14,30,34H,5-13,15-16H2,(H,31,32,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by patch express method based electrophysiology assay |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113852
(CHEMBL3605129)Show SMILES O[C@H]1C[C@H](COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)C[C@H]1O |r| Show InChI InChI=1S/C31H36FN5O6/c32-21-14-33-22-2-4-27(42-15-18-11-23(38)24(39)12-18)37-28(22)20(21)5-6-31-9-7-30(8-10-31,17-43-31)34-13-19-1-3-25-29(35-19)36-26(40)16-41-25/h1-4,14,18,23-24,34,38-39H,5-13,15-17H2,(H,35,36,40)/t18-,23-,24+,30?,31? | 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 | 3.10E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113890
(CHEMBL3605021)Show SMILES NCC(O)COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 Show InChI InChI=1S/C28H33FN6O5/c29-20-13-31-21-2-4-24(39-14-18(36)11-30)35-25(21)19(20)5-6-28-9-7-27(8-10-28,16-40-28)32-12-17-1-3-22-26(33-17)34-23(37)15-38-22/h1-4,13,18,32,36H,5-12,14-16,30H2,(H,33,34,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.30E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113887
(CHEMBL3605019)Show SMILES N[C@@H]1CO[C@@H]1COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |r,wD:4.5,1.0,(-4.27,-8.98,;-5.23,-8.2,;-6.76,-8.33,;-6.9,-6.8,;-5.39,-6.7,;-4.4,-5.52,;-4.93,-4.07,;-3.94,-2.88,;-4.47,-1.44,;-3.46,-.25,;-1.95,-.52,;-.96,.66,;.56,.39,;1.08,-1.05,;2.3,-1.27,;.1,-2.23,;.63,-3.68,;2.15,-3.95,;2.68,-5.4,;3.98,-5.04,;3.16,-3.74,;4.6,-3.24,;3.08,-2.9,;2.03,-4.03,;5.04,-4.7,;4.01,-5.84,;5.58,-2.08,;5.07,-.63,;6.07,.54,;5.56,2,;6.57,3.17,;8.08,2.88,;9.08,4.05,;10.61,3.77,;11.12,2.32,;12.34,2.08,;10.1,1.14,;8.59,1.43,;7.59,.26,;-1.42,-1.96,;-2.41,-3.14,)| Show InChI InChI=1S/C29H33FN6O5/c30-19-12-32-21-2-4-25(40-14-23-20(31)13-38-23)36-26(21)18(19)5-6-29-9-7-28(8-10-29,16-41-29)33-11-17-1-3-22-27(34-17)35-24(37)15-39-22/h1-4,12,20,23,33H,5-11,13-16,31H2,(H,34,35,37)/t20-,23-,28?,29?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113832
(CHEMBL3605143)Show SMILES CC(C)CCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 Show InChI InChI=1S/C30H36FN5O4/c1-19(2)8-14-38-26-6-4-23-27(36-26)21(22(31)16-32-23)7-9-30-12-10-29(11-13-30,18-40-30)33-15-20-3-5-24-28(34-20)35-25(37)17-39-24/h3-6,16,19,33H,7-15,17-18H2,1-2H3,(H,34,35,37) | 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 | 3.50E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113875
(CHEMBL3605014)Show SMILES NC1COCC1Oc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 Show InChI InChI=1S/C29H33FN6O5/c30-19-12-32-21-2-4-25(41-23-14-38-13-20(23)31)36-26(21)18(19)5-6-29-9-7-28(8-10-29,16-40-29)33-11-17-1-3-22-27(34-17)35-24(37)15-39-22/h1-4,12,20,23,33H,5-11,13-16,31H2,(H,34,35,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.60E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113871
(CHEMBL3605138)Show SMILES NC1(COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)CC1 Show InChI InChI=1S/C29H33FN6O4/c30-20-14-32-21-2-4-24(39-16-27(31)7-8-27)36-25(21)19(20)5-6-29-11-9-28(10-12-29,17-40-29)33-13-18-1-3-22-26(34-18)35-23(37)15-38-22/h1-4,14,33H,5-13,15-17,31H2,(H,34,35,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.70E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113948
(CHEMBL3605011)Show SMILES Oc1c[nH]c(COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)cc1=O Show InChI InChI=1S/C31H31FN6O6/c32-21-13-34-22-2-4-27(43-15-19-11-23(39)24(40)14-33-19)38-28(22)20(21)5-6-31-9-7-30(8-10-31,17-44-31)35-12-18-1-3-25-29(36-18)37-26(41)16-42-25/h1-4,11,13-14,35,40H,5-10,12,15-17H2,(H,33,39)(H,36,37,41) | 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 | 5.30E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113922
(CHEMBL3605025)Show SMILES Fc1cnc2ccc(OCC3(CC3)C#N)nc2c1CCC12CCC(CC1)(CO2)NCc1ccc2OCC(=O)Nc2n1 Show InChI InChI=1S/C30H31FN6O4/c31-21-14-33-22-2-4-25(40-17-28(16-32)7-8-28)37-26(22)20(21)5-6-30-11-9-29(10-12-30,18-41-30)34-13-19-1-3-23-27(35-19)36-24(38)15-39-23/h1-4,14,34H,5-13,15,17-18H2,(H,35,36,38) | 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 | 5.50E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113858
(CHEMBL3605132)Show SMILES OC1CC(O)CC(C1)Oc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 Show InChI InChI=1S/C31H36FN5O6/c32-23-15-33-24-2-4-27(43-21-12-19(38)11-20(39)13-21)37-28(24)22(23)5-6-31-9-7-30(8-10-31,17-42-31)34-14-18-1-3-25-29(35-18)36-26(40)16-41-25/h1-4,15,19-21,34,38-39H,5-14,16-17H2,(H,35,36,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.30E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113845
(CHEMBL3605125)Show SMILES CC(C)(O)CCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 Show InChI InChI=1S/C30H36FN5O5/c1-28(2,38)13-14-39-25-6-4-22-26(36-25)20(21(31)16-32-22)7-8-30-11-9-29(10-12-30,18-41-30)33-15-19-3-5-23-27(34-19)35-24(37)17-40-23/h3-6,16,33,38H,7-15,17-18H2,1-2H3,(H,34,35,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.00E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113870
(CHEMBL3605137)Show SMILES NCC1(COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)CC1 Show InChI InChI=1S/C30H35FN6O4/c31-21-14-33-22-2-4-25(40-17-28(16-32)7-8-28)37-26(22)20(21)5-6-30-11-9-29(10-12-30,18-41-30)34-13-19-1-3-23-27(35-19)36-24(38)15-39-23/h1-4,14,34H,5-13,15-18,32H2,(H,35,36,38) | 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 | 7.60E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113862
(CHEMBL3605134)Show SMILES NCCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 Show InChI InChI=1S/C28H33FN6O4/c29-20-15-31-21-3-5-24(37-13-1-12-30)35-25(21)19(20)6-7-28-10-8-27(9-11-28,17-39-28)32-14-18-2-4-22-26(33-18)34-23(36)16-38-22/h2-5,15,32H,1,6-14,16-17,30H2,(H,33,34,36) | 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 | 7.90E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113866
(CHEMBL3605135)Show SMILES NCCCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 Show InChI InChI=1S/C29H35FN6O4/c30-21-16-32-22-4-6-25(38-14-2-1-13-31)36-26(22)20(21)7-8-29-11-9-28(10-12-29,18-40-29)33-15-19-3-5-23-27(34-19)35-24(37)17-39-23/h3-6,16,33H,1-2,7-15,17-18,31H2,(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 | 8.00E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113930
(CHEMBL3605026)Show SMILES CCOC(=O)COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 Show InChI InChI=1S/C29H32FN5O6/c1-2-38-25(37)16-40-24-6-4-21-26(35-24)19(20(30)14-31-21)7-8-29-11-9-28(10-12-29,17-41-29)32-13-18-3-5-22-27(33-18)34-23(36)15-39-22/h3-6,14,32H,2,7-13,15-17H2,1H3,(H,33,34,36) | 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 | 8.50E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113915
(CHEMBL3605024)Show SMILES Fc1cnc2ccc(OCCCC#N)nc2c1CCC12CCC(CC1)(CO2)NCc1ccc2OCC(=O)Nc2n1 Show InChI InChI=1S/C29H31FN6O4/c30-21-16-32-22-4-6-25(38-14-2-1-13-31)36-26(22)20(21)7-8-29-11-9-28(10-12-29,18-40-29)33-15-19-3-5-23-27(34-19)35-24(37)17-39-23/h3-6,16,33H,1-2,7-12,14-15,17-18H2,(H,34,35,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.90E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113947
(CHEMBL3605010)Show SMILES NC(=O)C(F)(F)CCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 Show InChI InChI=1S/C29H31F3N6O5/c30-19-14-34-20-2-4-23(41-12-11-29(31,32)26(33)40)38-24(20)18(19)5-6-28-9-7-27(8-10-28,16-43-28)35-13-17-1-3-21-25(36-17)37-22(39)15-42-21/h1-4,14,35H,5-13,15-16H2,(H2,33,40)(H,36,37,39) | 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 | 9.20E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113850
(CHEMBL3605128)Show SMILES OCC(CO)COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 Show InChI InChI=1S/C29H34FN5O6/c30-21-12-31-22-2-4-25(40-15-18(13-36)14-37)35-26(22)20(21)5-6-29-9-7-28(8-10-29,17-41-29)32-11-19-1-3-23-27(33-19)34-24(38)16-39-23/h1-4,12,18,32,36-37H,5-11,13-17H2,(H,33,34,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113881
(CHEMBL3605016)Show SMILES N[C@@H]1COC[C@H]1Oc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |r| Show InChI InChI=1S/C29H33FN6O5/c30-19-12-32-21-2-4-25(41-23-14-38-13-20(23)31)36-26(21)18(19)5-6-29-9-7-28(8-10-29,16-40-29)33-11-17-1-3-22-27(34-17)35-24(37)15-39-22/h1-4,12,20,23,33H,5-11,13-16,31H2,(H,34,35,37)/t20-,23-,28?,29?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.13E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113856
(CHEMBL3605131)Show SMILES OC1(COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)COC1 Show InChI InChI=1S/C29H32FN5O6/c30-20-12-31-21-2-4-24(40-17-28(37)15-38-16-28)35-25(21)19(20)5-6-29-9-7-27(8-10-29,14-41-29)32-11-18-1-3-22-26(33-18)34-23(36)13-39-22/h1-4,12,32,37H,5-11,13-17H2,(H,33,34,36) | 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 | 1.22E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113837
(CHEMBL3605148)Show SMILES COCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 Show InChI InChI=1S/C28H32FN5O5/c1-36-12-13-37-24-5-3-21-25(34-24)19(20(29)15-30-21)6-7-28-10-8-27(9-11-28,17-39-28)31-14-18-2-4-22-26(32-18)33-23(35)16-38-22/h2-5,15,31H,6-14,16-17H2,1H3,(H,32,33,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.73E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113861
(CHEMBL3605133)Show SMILES NCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 Show InChI InChI=1S/C27H31FN6O4/c28-19-14-30-20-2-4-23(36-12-11-29)34-24(20)18(19)5-6-27-9-7-26(8-10-27,16-38-27)31-13-17-1-3-21-25(32-17)33-22(35)15-37-21/h1-4,14,31H,5-13,15-16,29H2,(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 | 1.75E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113885
(CHEMBL3605017)Show SMILES N[C@@H]1CO[C@H]1COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |r,wU:4.5,wD:1.0,(-4.27,-8.98,;-5.23,-8.2,;-6.76,-8.33,;-6.9,-6.8,;-5.39,-6.7,;-4.4,-5.52,;-4.93,-4.07,;-3.94,-2.88,;-4.47,-1.44,;-3.46,-.25,;-1.95,-.52,;-.96,.66,;.56,.39,;1.08,-1.05,;2.3,-1.27,;.1,-2.23,;.63,-3.68,;2.15,-3.95,;2.68,-5.4,;3.98,-5.04,;3.16,-3.74,;4.6,-3.24,;3.08,-2.9,;2.03,-4.03,;5.04,-4.7,;4.01,-5.84,;5.58,-2.08,;5.07,-.63,;6.07,.54,;5.56,2,;6.57,3.17,;8.08,2.88,;9.08,4.05,;10.61,3.77,;11.12,2.32,;12.34,2.08,;10.1,1.14,;8.59,1.43,;7.59,.26,;-1.42,-1.96,;-2.41,-3.14,)| Show InChI InChI=1S/C29H33FN6O5/c30-19-12-32-21-2-4-25(40-14-23-20(31)13-38-23)36-26(21)18(19)5-6-29-9-7-28(8-10-29,16-41-29)33-11-17-1-3-22-27(34-17)35-24(37)15-39-22/h1-4,12,20,23,33H,5-11,13-16,31H2,(H,34,35,37)/t20-,23+,28?,29?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.77E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
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 | 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 method based electrophysiology assay |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113888
(CHEMBL3605020)Show SMILES N[C@H]1CO[C@H]1COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |r,wU:4.5,1.0,(-4.27,-8.98,;-5.23,-8.2,;-6.76,-8.33,;-6.9,-6.8,;-5.39,-6.7,;-4.4,-5.52,;-4.93,-4.07,;-3.94,-2.88,;-4.47,-1.44,;-3.46,-.25,;-1.95,-.52,;-.96,.66,;.56,.39,;1.08,-1.05,;2.3,-1.27,;.1,-2.23,;.63,-3.68,;2.15,-3.95,;2.68,-5.4,;3.98,-5.04,;3.16,-3.74,;4.6,-3.24,;3.08,-2.9,;2.03,-4.03,;5.04,-4.7,;4.01,-5.84,;5.58,-2.08,;5.07,-.63,;6.07,.54,;5.56,2,;6.57,3.17,;8.08,2.88,;9.08,4.05,;10.61,3.77,;11.12,2.32,;12.34,2.08,;10.1,1.14,;8.59,1.43,;7.59,.26,;-1.42,-1.96,;-2.41,-3.14,)| Show InChI InChI=1S/C29H33FN6O5/c30-19-12-32-21-2-4-25(40-14-23-20(31)13-38-23)36-26(21)18(19)5-6-29-9-7-28(8-10-29,16-41-29)33-11-17-1-3-22-27(34-17)35-24(37)15-39-22/h1-4,12,20,23,33H,5-11,13-16,31H2,(H,34,35,37)/t20-,23-,28?,29?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.39E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113886
(CHEMBL3605018)Show SMILES N[C@H]1CO[C@@H]1COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |r,wU:1.0,wD:4.5,(-4.27,-8.98,;-5.23,-8.2,;-6.76,-8.33,;-6.9,-6.8,;-5.39,-6.7,;-4.4,-5.52,;-4.93,-4.07,;-3.94,-2.88,;-4.47,-1.44,;-3.46,-.25,;-1.95,-.52,;-.96,.66,;.56,.39,;1.08,-1.05,;2.3,-1.27,;.1,-2.23,;.63,-3.68,;2.15,-3.95,;2.68,-5.4,;3.98,-5.04,;3.16,-3.74,;4.6,-3.24,;3.08,-2.9,;2.03,-4.03,;5.04,-4.7,;4.01,-5.84,;5.58,-2.08,;5.07,-.63,;6.07,.54,;5.56,2,;6.57,3.17,;8.08,2.88,;9.08,4.05,;10.61,3.77,;11.12,2.32,;12.34,2.08,;10.1,1.14,;8.59,1.43,;7.59,.26,;-1.42,-1.96,;-2.41,-3.14,)| Show InChI InChI=1S/C29H33FN6O5/c30-19-12-32-21-2-4-25(40-14-23-20(31)13-38-23)36-26(21)18(19)5-6-29-9-7-28(8-10-29,16-41-29)33-11-17-1-3-22-27(34-17)35-24(37)15-39-22/h1-4,12,20,23,33H,5-11,13-16,31H2,(H,34,35,37)/t20-,23+,28?,29?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.44E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113838
(CHEMBL3605120)Show SMILES OCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 Show InChI InChI=1S/C27H30FN5O5/c28-19-14-29-20-2-4-23(36-12-11-34)33-24(20)18(19)5-6-27-9-7-26(8-10-27,16-38-27)30-13-17-1-3-21-25(31-17)32-22(35)15-37-21/h1-4,14,30,34H,5-13,15-16H2,(H,31,32,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.50E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113939
(CHEMBL3605000)Show SMILES CCOC(=O)C(F)(F)CCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 Show InChI InChI=1S/C31H34F3N5O6/c1-2-42-28(41)31(33,34)13-14-43-25-6-4-22-26(39-25)20(21(32)16-35-22)7-8-30-11-9-29(10-12-30,18-45-30)36-15-19-3-5-23-27(37-19)38-24(40)17-44-23/h3-6,16,36H,2,7-15,17-18H2,1H3,(H,37,38,40) | 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 | 2.54E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
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 | 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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113905
(CHEMBL3605022)Show SMILES N[C@@H]1[C@@H](COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)NC1=O |r| Show InChI InChI=1S/C29H32FN7O5/c30-18-12-32-19-2-4-23(41-13-20-24(31)27(39)35-20)37-25(19)17(18)5-6-29-9-7-28(8-10-29,15-42-29)33-11-16-1-3-21-26(34-16)36-22(38)14-40-21/h1-4,12,20,24,33H,5-11,13-15,31H2,(H,35,39)(H,34,36,38)/t20-,24-,28?,29?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.91E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113950
(CHEMBL3605013)Show SMILES OCCOc1ccc2ncc(F)c(C[C@H](O)C34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |r| Show InChI InChI=1S/C27H30FN5O6/c28-18-13-29-19-2-4-23(37-10-9-34)33-24(19)17(18)11-21(35)27-7-5-26(6-8-27,15-39-27)30-12-16-1-3-20-25(31-16)32-22(36)14-38-20/h1-4,13,21,30,34-35H,5-12,14-15H2,(H,31,32,36)/t21-,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 | 2.97E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113861
(CHEMBL3605133)Show SMILES NCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 Show InChI InChI=1S/C27H31FN6O4/c28-19-14-30-20-2-4-23(36-12-11-29)34-24(20)18(19)5-6-27-9-7-26(8-10-27,16-38-27)31-13-17-1-3-21-25(32-17)33-22(35)15-37-21/h1-4,14,31H,5-13,15-16,29H2,(H,32,33,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by patch express method based electrophysiology assay |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113950
(CHEMBL3605013)Show SMILES OCCOc1ccc2ncc(F)c(C[C@H](O)C34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |r| Show InChI InChI=1S/C27H30FN5O6/c28-18-13-29-19-2-4-23(37-10-9-34)33-24(19)17(18)11-21(35)27-7-5-26(6-8-27,15-39-27)30-12-16-1-3-20-25(31-16)32-22(36)14-38-20/h1-4,13,21,30,34-35H,5-12,14-15H2,(H,31,32,36)/t21-,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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by patch express method based electrophysiology assay |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113942
(CHEMBL3605003)Show SMILES OC(=O)[C@@H]1C[C@@H]1COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |r| Show InChI InChI=1S/C30H32FN5O6/c31-21-13-32-22-2-4-25(41-14-17-11-20(17)28(38)39)36-26(22)19(21)5-6-30-9-7-29(8-10-30,16-42-30)33-12-18-1-3-23-27(34-18)35-24(37)15-40-23/h1-4,13,17,20,33H,5-12,14-16H2,(H,38,39)(H,34,35,37)/t17-,20-,29?,30?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by patch express method based electrophysiology assay |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113944
(CHEMBL3605005)Show SMILES OC(=O)[C@H]1C[C@@H]1COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |r| Show InChI InChI=1S/C30H32FN5O6/c31-21-13-32-22-2-4-25(41-14-17-11-20(17)28(38)39)36-26(22)19(21)5-6-30-9-7-29(8-10-30,16-42-30)33-12-18-1-3-23-27(34-18)35-24(37)15-40-23/h1-4,13,17,20,33H,5-12,14-16H2,(H,38,39)(H,34,35,37)/t17-,20+,29?,30?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by patch express method based electrophysiology assay |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113911
(CHEMBL3605023)Show SMILES N[C@H]1[C@@H](CNC1=O)Oc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |r| Show InChI InChI=1S/C29H32FN7O5/c30-18-12-32-19-2-4-23(42-21-13-33-27(39)24(21)31)37-25(19)17(18)5-6-29-9-7-28(8-10-29,15-41-29)34-11-16-1-3-20-26(35-16)36-22(38)14-40-20/h1-4,12,21,24,34H,5-11,13-15,31H2,(H,33,39)(H,35,36,38)/t21-,24+,28?,29?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.99E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113944
(CHEMBL3605005)Show SMILES OC(=O)[C@H]1C[C@@H]1COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |r| Show InChI InChI=1S/C30H32FN5O6/c31-21-13-32-22-2-4-25(41-14-17-11-20(17)28(38)39)36-26(22)19(21)5-6-30-9-7-29(8-10-30,16-42-30)33-12-18-1-3-23-27(34-18)35-24(37)15-40-23/h1-4,13,17,20,33H,5-12,14-16H2,(H,38,39)(H,34,35,37)/t17-,20+,29?,30?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.34E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113938
(CHEMBL3604999)Show SMILES OC(=O)CCCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 Show InChI InChI=1S/C30H34FN5O6/c31-21-16-32-22-5-7-25(40-14-2-1-3-26(38)39)36-27(22)20(21)8-9-30-12-10-29(11-13-30,18-42-30)33-15-19-4-6-23-28(34-19)35-24(37)17-41-23/h4-7,16,33H,1-3,8-15,17-18H2,(H,38,39)(H,34,35,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.35E+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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113940
(CHEMBL3605001)Show SMILES OC(=O)C(F)(F)CCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 Show InChI InChI=1S/C29H30F3N5O6/c30-19-14-33-20-2-4-23(41-12-11-29(31,32)26(39)40)37-24(20)18(19)5-6-28-9-7-27(8-10-28,16-43-28)34-13-17-1-3-21-25(35-17)36-22(38)15-42-21/h1-4,14,34H,5-13,15-16H2,(H,39,40)(H,35,36,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113946
(CHEMBL3605007)Show SMILES OC(=O)C1(COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)CC1 Show InChI InChI=1S/C30H32FN5O6/c31-20-14-32-21-2-4-24(41-16-28(7-8-28)27(38)39)36-25(21)19(20)5-6-30-11-9-29(10-12-30,17-42-30)33-13-18-1-3-22-26(34-18)35-23(37)15-40-22/h1-4,14,33H,5-13,15-17H2,(H,38,39)(H,34,35,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113936
(CHEMBL3605118)Show SMILES OC(=O)CCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 Show InChI InChI=1S/C29H32FN5O6/c30-20-15-31-21-4-6-24(39-13-1-2-25(37)38)35-26(21)19(20)7-8-29-11-9-28(10-12-29,17-41-29)32-14-18-3-5-22-27(33-18)34-23(36)16-40-22/h3-6,15,32H,1-2,7-14,16-17H2,(H,37,38)(H,33,34,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113942
(CHEMBL3605003)Show SMILES OC(=O)[C@@H]1C[C@@H]1COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |r| Show InChI InChI=1S/C30H32FN5O6/c31-21-13-32-22-2-4-25(41-14-17-11-20(17)28(38)39)36-26(22)19(21)5-6-30-9-7-29(8-10-30,16-42-30)33-12-18-1-3-23-27(34-18)35-24(37)15-40-23/h1-4,13,17,20,33H,5-12,14-16H2,(H,38,39)(H,34,35,37)/t17-,20-,29?,30?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50113934
(CHEMBL3605116)Show SMILES OC(=O)COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 Show InChI InChI=1S/C27H28FN5O6/c28-18-12-29-19-2-4-22(38-14-23(35)36)33-24(19)17(18)5-6-27-9-7-26(8-10-27,15-39-27)30-11-16-1-3-20-25(31-16)32-21(34)13-37-20/h1-4,12,30H,5-11,13-15H2,(H,35,36)(H,31,32,34) | 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 | >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 assessed as reduction in MK499 competitive binding |
Bioorg Med Chem Lett 25: 3630-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R |
More data for this
Ligand-Target Pair | |
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