Found 65 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)) | BDBM50247733
(CHEMBL4079561)Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1nccn1C |c:5,16| Show InChI InChI=1S/C22H25BrFN5O3/c1-3-32-22(30)18-17(13-29-8-10-31-11-9-29)26-20(21-25-6-7-28(21)2)27-19(18)15-5-4-14(24)12-16(15)23/h4-7,12,19H,3,8-11,13H2,1-2H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247655
(CHEMBL4103602)Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccccc1[N+]([O-])=O)c1nccs1 |c:5,16| Show InChI InChI=1S/C21H23N5O5S/c1-2-31-21(27)17-15(13-25-8-10-30-11-9-25)23-19(20-22-7-12-32-20)24-18(17)14-5-3-4-6-16(14)26(28)29/h3-7,12,18H,2,8-11,13H2,1H3,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247811
(CHEMBL4078766)Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(Cl)cc1Cl)c1nccs1 |c:5,16| Show InChI InChI=1S/C21H22Cl2N4O3S/c1-2-30-21(28)17-16(12-27-6-8-29-9-7-27)25-19(20-24-5-10-31-20)26-18(17)14-4-3-13(22)11-15(14)23/h3-5,10-11,18H,2,6-9,12H2,1H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247732
(CHEMBL4082519)Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)n1cncn1 |c:5,16| Show InChI InChI=1S/C20H22BrFN6O3/c1-2-31-19(29)17-16(10-27-5-7-30-8-6-27)25-20(28-12-23-11-24-28)26-18(17)14-4-3-13(22)9-15(14)21/h3-4,9,11-12,18H,2,5-8,10H2,1H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247812
(CHEMBL3742114)Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,16| Show InChI InChI=1S/C21H22BrFN4O3S/c1-2-30-21(28)17-16(12-27-6-8-29-9-7-27)25-19(20-24-5-10-31-20)26-18(17)14-4-3-13(23)11-15(14)22/h3-5,10-11,18H,2,6-9,12H2,1H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 860 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247734
(CHEMBL4077161)Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1cccs1 |c:5,16| Show InChI InChI=1S/C22H23BrFN3O3S/c1-2-30-22(28)19-17(13-27-7-9-29-10-8-27)25-21(18-4-3-11-31-18)26-20(19)15-6-5-14(24)12-16(15)23/h3-6,11-12,20H,2,7-10,13H2,1H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247794
(CHEMBL4087396)Show SMILES CCOC(=O)C1=C(CN2CCS(=O)(=O)CC2)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,18| Show InChI InChI=1S/C21H22BrFN4O4S2/c1-2-31-21(28)17-16(12-27-6-9-33(29,30)10-7-27)25-19(20-24-5-8-32-20)26-18(17)14-4-3-13(23)11-15(14)22/h3-5,8,11,18H,2,6-7,9-10,12H2,1H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247730
(CHEMBL4088287)Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1nc(CC(=O)OC)cs1 |c:5,16| Show InChI InChI=1S/C24H26BrFN4O5S/c1-3-35-24(32)20-18(12-30-6-8-34-9-7-30)28-22(23-27-15(13-36-23)11-19(31)33-2)29-21(20)16-5-4-14(26)10-17(16)25/h4-5,10,13,21H,3,6-9,11-12H2,1-2H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247657
(CHEMBL4076401)Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Cl)c1nccs1 |c:5,16| Show InChI InChI=1S/C21H22ClFN4O3S/c1-2-30-21(28)17-16(12-27-6-8-29-9-7-27)25-19(20-24-5-10-31-20)26-18(17)14-4-3-13(23)11-15(14)22/h3-5,10-11,18H,2,6-9,12H2,1H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247735
(CHEMBL4075908)Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1nncs1 |c:5,16| Show InChI InChI=1S/C20H21BrFN5O3S/c1-2-30-20(28)16-15(10-27-5-7-29-8-6-27)24-18(19-26-23-11-31-19)25-17(16)13-4-3-12(22)9-14(13)21/h3-4,9,11,17H,2,5-8,10H2,1H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247801
(CHEMBL4070728)Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1ccccn1 |c:5,16| Show InChI InChI=1S/C23H24BrFN4O3/c1-2-32-23(30)20-19(14-29-9-11-31-12-10-29)27-22(18-5-3-4-8-26-18)28-21(20)16-7-6-15(25)13-17(16)24/h3-8,13,21H,2,9-12,14H2,1H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247656
(CHEMBL4062770)Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccccc1Cl)c1nccs1 |c:5,16| Show InChI InChI=1S/C21H23ClN4O3S/c1-2-29-21(27)17-16(13-26-8-10-28-11-9-26)24-19(20-23-7-12-30-20)25-18(17)14-5-3-4-6-15(14)22/h3-7,12,18H,2,8-11,13H2,1H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247800
(CHEMBL4068707)Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1ncc(OC)s1 |c:5,16| Show InChI InChI=1S/C22H24BrFN4O4S/c1-3-32-22(29)18-16(12-28-6-8-31-9-7-28)26-20(21-25-11-17(30-2)33-21)27-19(18)14-5-4-13(24)10-15(14)23/h4-5,10-11,19H,3,6-9,12H2,1-2H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247659
(CHEMBL4064808)Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,16| Show InChI InChI=1S/C21H22BrFN4O3S/c1-2-30-21(28)17-16(12-27-6-8-29-9-7-27)25-19(20-24-5-10-31-20)26-18(17)14-4-3-13(23)11-15(14)22/h3-5,10-11,18H,2,6-9,12H2,1H3,(H,25,26)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247658
(CHEMBL4092509)Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=N[C@@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,16| Show InChI InChI=1S/C21H22BrFN4O3S/c1-2-30-21(28)17-16(12-27-6-8-29-9-7-27)25-19(20-24-5-10-31-20)26-18(17)14-4-3-13(23)11-15(14)22/h3-5,10-11,18H,2,6-9,12H2,1H3,(H,25,26)/t18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.88E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247654
(CHEMBL4067663)Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1-c1ccccc1)c1nccs1 |c:5,16| Show InChI InChI=1S/C27H27FN4O3S/c1-2-35-27(33)23-22(17-32-11-13-34-14-12-32)30-25(26-29-10-15-36-26)31-24(23)20-9-8-19(28)16-21(20)18-6-4-3-5-7-18/h3-10,15-16,24H,2,11-14,17H2,1H3,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247697
(CHEMBL4098434)Show SMILES CCOC(=O)C1=C(CN2CC[S+]([O-])CC2)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,17| Show InChI InChI=1S/C21H22BrFN4O3S2/c1-2-30-21(28)17-16(12-27-6-9-32(29)10-7-27)25-19(20-24-5-8-31-20)26-18(17)14-4-3-13(23)11-15(14)22/h3-5,8,11,18H,2,6-7,9-10,12H2,1H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247685
(CHEMBL4102761)Show SMILES CCOC(=O)C1=C(CN2CCOC(CO)C2)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,18| Show InChI InChI=1S/C22H24BrFN4O4S/c1-2-31-22(30)18-17(11-28-6-7-32-14(10-28)12-29)26-20(21-25-5-8-33-21)27-19(18)15-4-3-13(24)9-16(15)23/h3-5,8-9,14,19,29H,2,6-7,10-12H2,1H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247696
(CHEMBL4103771)Show SMILES CCOC(=O)C1=C(CNC(Cc2ccccc2)C(O)=O)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,22| Show InChI InChI=1S/C26H24BrFN4O4S/c1-2-36-26(35)21-20(14-30-19(25(33)34)12-15-6-4-3-5-7-15)31-23(24-29-10-11-37-24)32-22(21)17-9-8-16(28)13-18(17)27/h3-11,13,19,22,30H,2,12,14H2,1H3,(H,31,32)(H,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247690
(CHEMBL4104891)Show SMILES CCOC(=O)C1=C(CN2CC(C)(C)OCC2C(O)=O)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,21| Show InChI InChI=1S/C24H26BrFN4O5S/c1-4-34-23(33)18-16(10-30-12-24(2,3)35-11-17(30)22(31)32)28-20(21-27-7-8-36-21)29-19(18)14-6-5-13(26)9-15(14)25/h5-9,17,19H,4,10-12H2,1-3H3,(H,28,29)(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247686
(CHEMBL4084810)Show SMILES CCOC(=O)C1=C(CN2CCOCC2CO)NC(=NC1c1ccc(Cl)cc1Cl)c1nccs1 |c:5,18| Show InChI InChI=1S/C22H24Cl2N4O4S/c1-2-32-22(30)18-17(10-28-6-7-31-12-14(28)11-29)26-20(21-25-5-8-33-21)27-19(18)15-4-3-13(23)9-16(15)24/h3-5,8-9,14,19,29H,2,6-7,10-12H2,1H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247691
(CHEMBL4059649)Show SMILES CCOC(=O)C1=C(CN2CCO[C@H](C)[C@H]2C(O)=O)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |r,c:5,20| Show InChI InChI=1S/C23H24BrFN4O5S/c1-3-33-23(32)17-16(11-29-7-8-34-12(2)19(29)22(30)31)27-20(21-26-6-9-35-21)28-18(17)14-5-4-13(25)10-15(14)24/h4-6,9-10,12,18-19H,3,7-8,11H2,1-2H3,(H,27,28)(H,30,31)/t12-,18?,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247792
(CHEMBL4081602)Show SMILES CCOC(=O)C1=C(CN)NC(=NC1c1ccc(Cl)cc1Cl)c1nccs1 |c:5,10| Show InChI InChI=1S/C17H16Cl2N4O2S/c1-2-25-17(24)13-12(8-20)22-15(16-21-5-6-26-16)23-14(13)10-4-3-9(18)7-11(10)19/h3-7,14H,2,8,20H2,1H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50247653
(CHEMBL4085181)Show SMILES CCOC(=O)C1=C(CN2CCO[C@H](CCC(O)=O)C2)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,21| Show InChI InChI=1S/C24H26BrFN4O5S/c1-2-34-24(33)20-18(13-30-8-9-35-15(12-30)4-6-19(31)32)28-22(23-27-7-10-36-23)29-21(20)16-5-3-14(26)11-17(16)25/h3,5,7,10-11,15,21H,2,4,6,8-9,12-13H2,1H3,(H,28,29)(H,31,32)/t15-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes in presence of NADPH by LC-MS/MS analysis |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247687
(CHEMBL4100564)Show SMILES CCOC(=O)C1=C(CN2CCOCC2C(=O)NC)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,20| Show InChI InChI=1S/C23H25BrFN5O4S/c1-3-34-23(32)18-16(11-30-7-8-33-12-17(30)21(31)26-2)28-20(22-27-6-9-35-22)29-19(18)14-5-4-13(25)10-15(14)24/h4-6,9-10,17,19H,3,7-8,11-12H2,1-2H3,(H,26,31)(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247736
(CHEMBL4099050)Show SMILES CCOC(=O)c1c(CN2CCOCC2)nc(nc1-c1ccc(F)cc1Br)-c1nccs1 Show InChI InChI=1S/C21H20BrFN4O3S/c1-2-30-21(28)17-16(12-27-6-8-29-9-7-27)25-19(20-24-5-10-31-20)26-18(17)14-4-3-13(23)11-15(14)22/h3-5,10-11H,2,6-9,12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247787
(CHEMBL4077526)Show SMILES CCOC(=O)C1=C(CN2CCOC(CCC(O)=O)C2)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,21| Show InChI InChI=1S/C24H26BrFN4O5S/c1-2-34-24(33)20-18(13-30-8-9-35-15(12-30)4-6-19(31)32)28-22(23-27-7-10-36-23)29-21(20)16-5-3-14(26)11-17(16)25/h3,5,7,10-11,15,21H,2,4,6,8-9,12-13H2,1H3,(H,28,29)(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50247653
(CHEMBL4085181)Show SMILES CCOC(=O)C1=C(CN2CCO[C@H](CCC(O)=O)C2)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,21| Show InChI InChI=1S/C24H26BrFN4O5S/c1-2-34-24(33)20-18(13-30-8-9-35-15(12-30)4-6-19(31)32)28-22(23-27-7-10-36-23)29-21(20)16-5-3-14(26)11-17(16)25/h3,5,7,10-11,15,21H,2,4,6,8-9,12-13H2,1H3,(H,28,29)(H,31,32)/t15-,21+/m1/s1 | PDB
UniProtKB/SwissProt
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes in presence of NADPH by LC-MS/MS analysis |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247688
(CHEMBL4079166)Show SMILES CCOC(=O)C1=C(CN2CCOCC2C(N)=O)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,19| Show InChI InChI=1S/C22H23BrFN5O4S/c1-2-33-22(31)17-15(10-29-6-7-32-11-16(29)19(25)30)27-20(21-26-5-8-34-21)28-18(17)13-4-3-12(24)9-14(13)23/h3-5,8-9,16,18H,2,6-7,10-11H2,1H3,(H2,25,30)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247789
(CHEMBL4064868)Show SMILES CCOC(=O)C1=C(CN2CCOCC2CC(O)=O)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,20| Show InChI InChI=1S/C23H24BrFN4O5S/c1-2-34-23(32)19-17(11-29-6-7-33-12-14(29)10-18(30)31)27-21(22-26-5-8-35-22)28-20(19)15-4-3-13(25)9-16(15)24/h3-5,8-9,14,20H,2,6-7,10-12H2,1H3,(H,27,28)(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247791
(CHEMBL4087026)Show SMILES CCOC(=O)C1=C(CN2CCOCC2C(=O)OC)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,20| Show InChI InChI=1S/C23H24BrFN4O5S/c1-3-34-23(31)18-16(11-29-7-8-33-12-17(29)22(30)32-2)27-20(21-26-6-9-35-21)28-19(18)14-5-4-13(25)10-15(14)24/h4-6,9-10,17,19H,3,7-8,11-12H2,1-2H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247694
(CHEMBL4102843)Show SMILES CCOC(=O)C1=C(CN2CCN(C)CC2C(O)=O)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,20| Show InChI InChI=1S/C23H25BrFN5O4S/c1-3-34-23(33)18-16(11-30-8-7-29(2)12-17(30)22(31)32)27-20(21-26-6-9-35-21)28-19(18)14-5-4-13(25)10-15(14)24/h4-6,9-10,17,19H,3,7-8,11-12H2,1-2H3,(H,27,28)(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247713
(CHEMBL4060052)Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1nc(CC(O)=O)cs1 |c:5,16| Show InChI InChI=1S/C23H24BrFN4O5S/c1-2-34-23(32)19-17(11-29-5-7-33-8-6-29)27-21(22-26-14(12-35-22)10-18(30)31)28-20(19)15-4-3-13(25)9-16(15)24/h3-4,9,12,20H,2,5-8,10-11H2,1H3,(H,27,28)(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50247653
(CHEMBL4085181)Show SMILES CCOC(=O)C1=C(CN2CCO[C@H](CCC(O)=O)C2)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,21| Show InChI InChI=1S/C24H26BrFN4O5S/c1-2-34-24(33)20-18(13-30-8-9-35-15(12-30)4-6-19(31)32)28-22(23-27-7-10-36-23)29-21(20)16-5-3-14(26)11-17(16)25/h3,5,7,10-11,15,21H,2,4,6,8-9,12-13H2,1H3,(H,28,29)(H,31,32)/t15-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes in presence of NADPH by LC-MS/MS analysis |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50247653
(CHEMBL4085181)Show SMILES CCOC(=O)C1=C(CN2CCO[C@H](CCC(O)=O)C2)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,21| Show InChI InChI=1S/C24H26BrFN4O5S/c1-2-34-24(33)20-18(13-30-8-9-35-15(12-30)4-6-19(31)32)28-22(23-27-7-10-36-23)29-21(20)16-5-3-14(26)11-17(16)25/h3,5,7,10-11,15,21H,2,4,6,8-9,12-13H2,1H3,(H,28,29)(H,31,32)/t15-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes in presence of NADPH by LC-MS/MS analysis |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247675
(CHEMBL4092568)Show SMILES CCOC(=O)C1=C(CN2CCOC(C2)C(O)=O)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,19| Show InChI InChI=1S/C22H22BrFN4O5S/c1-2-32-22(31)17-15(10-28-6-7-33-16(11-28)21(29)30)26-19(20-25-5-8-34-20)27-18(17)13-4-3-12(24)9-14(13)23/h3-5,8-9,16,18H,2,6-7,10-11H2,1H3,(H,26,27)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247692
(CHEMBL4068300)Show SMILES CCOC(=O)C1=C(CN2CCOCC2C(O)=O)NC(=NC1c1ccc(F)cc1Cl)c1nccs1 |c:5,19| Show InChI InChI=1S/C22H22ClFN4O5S/c1-2-33-22(31)17-15(10-28-6-7-32-11-16(28)21(29)30)26-19(20-25-5-8-34-20)27-18(17)13-4-3-12(24)9-14(13)23/h3-5,8-9,16,18H,2,6-7,10-11H2,1H3,(H,26,27)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247695
(CHEMBL4079517)Show SMILES CCOC(=O)C1=C(CN2CCCC2C(O)=O)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,18| Show InChI InChI=1S/C22H22BrFN4O4S/c1-2-32-22(31)17-15(11-28-8-3-4-16(28)21(29)30)26-19(20-25-7-9-33-20)27-18(17)13-6-5-12(24)10-14(13)23/h5-7,9-10,16,18H,2-4,8,11H2,1H3,(H,26,27)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247790
(CHEMBL4082545)Show SMILES CCOC(=O)C1=C(CN2CCOCC2C(=O)NS(C)(=O)=O)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,23| Show InChI InChI=1S/C23H25BrFN5O6S2/c1-3-36-23(32)18-16(11-30-7-8-35-12-17(30)21(31)29-38(2,33)34)27-20(22-26-6-9-37-22)28-19(18)14-5-4-13(25)10-15(14)24/h4-6,9-10,17,19H,3,7-8,11-12H2,1-2H3,(H,27,28)(H,29,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247668
(CHEMBL4087323)Show SMILES CCOC(=O)C1=C(CN2CCOCC2CCC(O)=O)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,21| Show InChI InChI=1S/C24H26BrFN4O5S/c1-2-35-24(33)20-18(12-30-8-9-34-13-15(30)4-6-19(31)32)28-22(23-27-7-10-36-23)29-21(20)16-5-3-14(26)11-17(16)25/h3,5,7,10-11,15,21H,2,4,6,8-9,12-13H2,1H3,(H,28,29)(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247669
(CHEMBL4065913)Show SMILES CCOC(=O)C1=C(CN2CCOC(CC(O)=O)C2)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,20| Show InChI InChI=1S/C23H24BrFN4O5S/c1-2-33-23(32)19-17(12-29-6-7-34-14(11-29)10-18(30)31)27-21(22-26-5-8-35-22)28-20(19)15-4-3-13(25)9-16(15)24/h3-5,8-9,14,20H,2,6-7,10-12H2,1H3,(H,27,28)(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247689
(CHEMBL4097181)Show SMILES CCOC(=O)C1=C(CN2CCOCC2C(=O)OC(C)C)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,22| Show InChI InChI=1S/C25H28BrFN4O5S/c1-4-35-25(33)20-18(12-31-8-9-34-13-19(31)24(32)36-14(2)3)29-22(23-28-7-10-37-23)30-21(20)16-6-5-15(27)11-17(16)26/h5-7,10-11,14,19,21H,4,8-9,12-13H2,1-3H3,(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247693
(CHEMBL4089481)Show SMILES CCOC(=O)C1=C(CN2CCOCC2C(O)=O)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,19| Show InChI InChI=1S/C22H22BrFN4O5S/c1-2-33-22(31)17-15(10-28-6-7-32-11-16(28)21(29)30)26-19(20-25-5-8-34-20)27-18(17)13-4-3-12(24)9-14(13)23/h3-5,8-9,16,18H,2,6-7,10-11H2,1H3,(H,26,27)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50247653
(CHEMBL4085181)Show SMILES CCOC(=O)C1=C(CN2CCO[C@H](CCC(O)=O)C2)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,21| Show InChI InChI=1S/C24H26BrFN4O5S/c1-2-34-24(33)20-18(13-30-8-9-35-15(12-30)4-6-19(31)32)28-22(23-27-7-10-36-23)29-21(20)16-5-3-14(26)11-17(16)25/h3,5,7,10-11,15,21H,2,4,6,8-9,12-13H2,1H3,(H,28,29)(H,31,32)/t15-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in human liver microsomes in presence of NADPH by LC-MS/MS analysis |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM50247653
(CHEMBL4085181)Show SMILES CCOC(=O)C1=C(CN2CCO[C@H](CCC(O)=O)C2)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,21| Show InChI InChI=1S/C24H26BrFN4O5S/c1-2-34-24(33)20-18(13-30-8-9-35-15(12-30)4-6-19(31)32)28-22(23-27-7-10-36-23)29-21(20)16-5-3-14(26)11-17(16)25/h3,5,7,10-11,15,21H,2,4,6,8-9,12-13H2,1H3,(H,28,29)(H,31,32)/t15-,21+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Purchase
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of CYP2B6 in human liver microsomes in presence of NADPH by LC-MS/MS analysis |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247731
(CHEMBL4096023)Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)n1ncnn1 |c:5,16| Show InChI InChI=1S/C19H21BrFN7O3/c1-2-31-18(29)16-15(10-27-5-7-30-8-6-27)24-19(28-23-11-22-26-28)25-17(16)13-4-3-12(21)9-14(13)20/h3-4,9,11,17H,2,5-8,10H2,1H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247793
(CHEMBL4084893)Show SMILES CCOC(=O)C1=C(CN2CCCCC2C(O)=O)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,19| Show InChI InChI=1S/C23H24BrFN4O4S/c1-2-33-23(32)18-16(12-29-9-4-3-5-17(29)22(30)31)27-20(21-26-8-10-34-21)28-19(18)14-7-6-13(25)11-15(14)24/h6-8,10-11,17,19H,2-5,9,12H2,1H3,(H,27,28)(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247767
(CHEMBL4100106)Show SMILES CCOC(=O)C1=C(CN2CCOC[C@H]2CO)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,18| Show InChI InChI=1S/C22H24BrFN4O4S/c1-2-32-22(30)18-17(10-28-6-7-31-12-14(28)11-29)26-20(21-25-5-8-33-21)27-19(18)15-4-3-13(24)9-16(15)23/h3-5,8-9,14,19,29H,2,6-7,10-12H2,1H3,(H,26,27)/t14-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.42E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247664
(CHEMBL4061904)Show SMILES CCOC(=O)C1=C(CN2CCOC[C@@H]2C(O)=O)NC(=N[C@@H]1c1ccc(Cl)cc1Cl)c1nccs1 |r,c:5,19| Show InChI InChI=1S/C22H22Cl2N4O5S/c1-2-33-22(31)17-15(10-28-6-7-32-11-16(28)21(29)30)26-19(20-25-5-8-34-20)27-18(17)13-4-3-12(23)9-14(13)24/h3-5,8-9,16,18H,2,6-7,10-11H2,1H3,(H,26,27)(H,29,30)/t16-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247662
(CHEMBL4092352)Show SMILES CCOC(=O)C1=C(CN2CCOC[C@H]2C(O)=O)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |r,c:5,19| Show InChI InChI=1S/C22H22BrFN4O5S/c1-2-33-22(31)17-15(10-28-6-7-32-11-16(28)21(29)30)26-19(20-25-5-8-34-20)27-18(17)13-4-3-12(24)9-14(13)23/h3-5,8-9,16,18H,2,6-7,10-11H2,1H3,(H,26,27)(H,29,30)/t16-,18?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247663
(CHEMBL4091444)Show SMILES CCOC(=O)C1=C(CN2CCOC[C@H]2C(O)=O)NC(=NC1c1ccc(F)cc1Cl)c1nccs1 |r,c:5,19| Show InChI InChI=1S/C22H22ClFN4O5S/c1-2-33-22(31)17-15(10-28-6-7-32-11-16(28)21(29)30)26-19(20-25-5-8-34-20)27-18(17)13-4-3-12(24)9-14(13)23/h3-5,8-9,16,18H,2,6-7,10-11H2,1H3,(H,26,27)(H,29,30)/t16-,18?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247738
(CHEMBL4101622)Show SMILES CCOC(=O)C1=C(CN2CCO[C@@H](CCC(O)=O)C2)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,21| Show InChI InChI=1S/C24H26BrFN4O5S/c1-2-34-24(33)20-18(13-30-8-9-35-15(12-30)4-6-19(31)32)28-22(23-27-7-10-36-23)29-21(20)16-5-3-14(26)11-17(16)25/h3,5,7,10-11,15,21H,2,4,6,8-9,12-13H2,1H3,(H,28,29)(H,31,32)/t15-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247740
(CHEMBL4063560)Show SMILES CCOC(=O)C1=C(CN2CC(F)(F)C[C@H]2C(O)=O)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,20| Show InChI InChI=1S/C22H20BrF3N4O4S/c1-2-34-21(33)16-14(9-30-10-22(25,26)8-15(30)20(31)32)28-18(19-27-5-6-35-19)29-17(16)12-4-3-11(24)7-13(12)23/h3-7,15,17H,2,8-10H2,1H3,(H,28,29)(H,31,32)/t15-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247667
(CHEMBL4095001)Show SMILES CCOC(=O)C1=C(CN2CCOC[C@H]2C(O)=O)NC(=NC1c1ccc(Cl)cc1Cl)c1nccs1 |r,c:5,19| Show InChI InChI=1S/C22H22Cl2N4O5S/c1-2-33-22(31)17-15(10-28-6-7-32-11-16(28)21(29)30)26-19(20-25-5-8-34-20)27-18(17)13-4-3-12(23)9-14(13)24/h3-5,8-9,16,18H,2,6-7,10-11H2,1H3,(H,26,27)(H,29,30)/t16-,18?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247660
(CHEMBL4094822)Show SMILES CCOC(=O)C1=C(CN2CCO[C@H](C)[C@H]2C(O)=O)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,20| Show InChI InChI=1S/C23H24BrFN4O5S/c1-3-33-23(32)17-16(11-29-7-8-34-12(2)19(29)22(30)31)27-20(21-26-6-9-35-21)28-18(17)14-5-4-13(25)10-15(14)24/h4-6,9-10,12,18-19H,3,7-8,11H2,1-2H3,(H,27,28)(H,30,31)/t12-,18+,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247661
(CHEMBL4061060)Show SMILES CCOC(=O)C1=C(CN2CCOC[C@H]2C(O)=O)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,19| Show InChI InChI=1S/C22H22BrFN4O5S/c1-2-33-22(31)17-15(10-28-6-7-32-11-16(28)21(29)30)26-19(20-25-5-8-34-20)27-18(17)13-4-3-12(24)9-14(13)23/h3-5,8-9,16,18H,2,6-7,10-11H2,1H3,(H,26,27)(H,29,30)/t16-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247739
(CHEMBL4074324)Show SMILES CCOC(=O)C1=C(CN2CC(C)(C)OC[C@H]2C(O)=O)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,21| Show InChI InChI=1S/C24H26BrFN4O5S/c1-4-34-23(33)18-16(10-30-12-24(2,3)35-11-17(30)22(31)32)28-20(21-27-7-8-36-21)29-19(18)14-6-5-13(26)9-15(14)25/h5-9,17,19H,4,10-12H2,1-3H3,(H,28,29)(H,31,32)/t17-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247759
(CHEMBL4093889)Show SMILES CCOC(=O)C1=C(CN2CCOC[C@H]2CCC(O)=O)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,21| Show InChI InChI=1S/C24H26BrFN4O5S/c1-2-35-24(33)20-18(12-30-8-9-34-13-15(30)4-6-19(31)32)28-22(23-27-7-10-36-23)29-21(20)16-5-3-14(26)11-17(16)25/h3,5,7,10-11,15,21H,2,4,6,8-9,12-13H2,1H3,(H,28,29)(H,31,32)/t15-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247781
(CHEMBL4073176)Show SMILES COC(=O)C1=C(CN2CCOC[C@H]2C(O)=O)NC(=NC1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,18| Show InChI InChI=1S/C21H20ClFN4O5S/c1-31-21(30)16-14(9-27-5-6-32-10-15(27)20(28)29)25-18(19-24-4-7-33-19)26-17(16)12-3-2-11(23)8-13(12)22/h2-4,7-8,15,17H,5-6,9-10H2,1H3,(H,25,26)(H,28,29)/t15-,17?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247782
(CHEMBL4083668)Show SMILES CCOC(=O)C1=C(CN2CCOC[C@@H]2C(O)=O)NC(=N[C@H]1c1ccc(Cl)cc1Cl)c1nccs1 |r,c:5,19| Show InChI InChI=1S/C22H22Cl2N4O5S/c1-2-33-22(31)17-15(10-28-6-7-32-11-16(28)21(29)30)26-19(20-25-5-8-34-20)27-18(17)13-4-3-12(23)9-14(13)24/h3-5,8-9,16,18H,2,6-7,10-11H2,1H3,(H,26,27)(H,29,30)/t16-,18+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50237769
(CHEMBL4064672)Show SMILES COC(=O)C1=C(CN2CCOC[C@H]2C(O)=O)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,18| Show InChI InChI=1S/C21H20ClFN4O5S/c1-31-21(30)16-14(9-27-5-6-32-10-15(27)20(28)29)25-18(19-24-4-7-33-19)26-17(16)12-3-2-11(23)8-13(12)22/h2-4,7-8,15,17H,5-6,9-10H2,1H3,(H,25,26)(H,28,29)/t15-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247666
(CHEMBL4095407)Show SMILES CCOC(=O)C1=C(CN2CCOC[C@H]2C(O)=O)NC(=N[C@H]1c1ccc(Cl)cc1Cl)c1nccs1 |r,c:5,19| Show InChI InChI=1S/C22H22Cl2N4O5S/c1-2-33-22(31)17-15(10-28-6-7-32-11-16(28)21(29)30)26-19(20-25-5-8-34-20)27-18(17)13-4-3-12(23)9-14(13)24/h3-5,8-9,16,18H,2,6-7,10-11H2,1H3,(H,26,27)(H,29,30)/t16-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247653
(CHEMBL4085181)Show SMILES CCOC(=O)C1=C(CN2CCO[C@H](CCC(O)=O)C2)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,21| Show InChI InChI=1S/C24H26BrFN4O5S/c1-2-34-24(33)20-18(13-30-8-9-35-15(12-30)4-6-19(31)32)28-22(23-27-7-10-36-23)29-21(20)16-5-3-14(26)11-17(16)25/h3,5,7,10-11,15,21H,2,4,6,8-9,12-13H2,1H3,(H,28,29)(H,31,32)/t15-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
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 |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247665
(CHEMBL4068628)Show SMILES CCOC(=O)C1=C(CN2CCOC[C@H]2C(O)=O)NC(=N[C@@H]1c1ccc(Cl)cc1Cl)c1nccs1 |r,c:5,19| Show InChI InChI=1S/C22H22Cl2N4O5S/c1-2-33-22(31)17-15(10-28-6-7-32-11-16(28)21(29)30)26-19(20-25-5-8-34-20)27-18(17)13-4-3-12(23)9-14(13)24/h3-5,8-9,16,18H,2,6-7,10-11H2,1H3,(H,26,27)(H,29,30)/t16-,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50247737
(CHEMBL4074934)Show SMILES CCOC(=O)C1=C(CN2CCOC[C@@H]2CCC(O)=O)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,21| Show InChI InChI=1S/C24H26BrFN4O5S/c1-2-35-24(33)20-18(12-30-8-9-34-13-15(30)4-6-19(31)32)28-22(23-27-7-10-36-23)29-21(20)16-5-3-14(26)11-17(16)25/h3,5,7,10-11,15,21H,2,4,6,8-9,12-13H2,1H3,(H,28,29)(H,31,32)/t15-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
HEC Pharma Group
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay |
J Med Chem 61: 1355-1374 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9 |
More data for this
Ligand-Target Pair | |
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