Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 9 entry = 50000059 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)) | BDBM50239836
(CHEMBL391514)Show SMILES ONC(=O)CCCCCN1[C@@H](Cc2ccccc2)C(=O)N(Cc2ccccc2)c2ccccc2C1=O Show InChI InChI=1S/C29H31N3O4/c33-27(30-36)18-8-3-11-19-31-26(20-22-12-4-1-5-13-22)29(35)32(21-23-14-6-2-7-15-23)25-17-10-9-16-24(25)28(31)34/h1-2,4-7,9-10,12-17,26,36H,3,8,11,18-21H2,(H,30,33)/t26-/m0/s1 | 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 | 2.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Heinrich-Heine-Universit£t D£sseldorf
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 60: 5493-5506 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50239835
(CHEMBL4063658)Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C25H32N4O4/c1-28(2)22-14-12-20(13-15-22)25(32)29(17-23(30)26-21-6-4-3-5-7-21)16-18-8-10-19(11-9-18)24(31)27-33/h8-15,21,33H,3-7,16-17H2,1-2H3,(H,26,30)(H,27,31) | 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 | 2.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Heinrich-Heine-Universit£t D£sseldorf
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 60: 5493-5506 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50239824
(CHEMBL4069631)Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1 Show InChI InChI=1S/C24H32N4O4/c1-27(2)21-14-12-20(13-15-21)24(31)28(16-8-4-7-11-22(29)26-32)18-23(30)25-17-19-9-5-3-6-10-19/h3,5-6,9-10,12-15,32H,4,7-8,11,16-18H2,1-2H3,(H,25,30)(H,26,29) | 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 | 5.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Heinrich-Heine-Universit£t D£sseldorf
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 60: 5493-5506 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50239835
(CHEMBL4063658)Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C25H32N4O4/c1-28(2)22-14-12-20(13-15-22)25(32)29(17-23(30)26-21-6-4-3-5-7-21)16-18-8-10-19(11-9-18)24(31)27-33/h8-15,21,33H,3-7,16-17H2,1-2H3,(H,26,30)(H,27,31) | 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 | 5.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Heinrich-Heine-Universit£t D£sseldorf
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 60: 5493-5506 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50239824
(CHEMBL4069631)Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1 Show InChI InChI=1S/C24H32N4O4/c1-27(2)21-14-12-20(13-15-21)24(31)28(16-8-4-7-11-22(29)26-32)18-23(30)25-17-19-9-5-3-6-10-19/h3,5-6,9-10,12-15,32H,4,7-8,11,16-18H2,1-2H3,(H,25,30)(H,26,29) | 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 | 2.79E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Heinrich-Heine-Universit£t D£sseldorf
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 60: 5493-5506 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z |
More data for this
Ligand-Target Pair | |
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