Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50039703 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)) | BDBM50382559
(ISPINESIB)Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Beatson Institute for Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 55: 1511-25 (2012)
Article DOI: 10.1021/jm201195m
BindingDB Entry DOI: 10.7270/Q2CZ386T |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50382558
(CHEMBL2022997)Show InChI InChI=1S/C23H25N/c1-19-10-8-15-22(18-19)23(16-9-17-24,20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-8,10-15,18H,9,16-17,24H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Beatson Institute for Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 55: 1511-25 (2012)
Article DOI: 10.1021/jm201195m
BindingDB Entry DOI: 10.7270/Q2CZ386T |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50382546
(CHEMBL2022996)Show SMILES Cc1cccc(c1)C(CC[C@@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H25NO2/c1-18-9-8-14-21(17-18)24(16-15-22(25)23(26)27,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17,22H,15-16,25H2,1H3,(H,26,27)/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Beatson Institute for Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 55: 1511-25 (2012)
Article DOI: 10.1021/jm201195m
BindingDB Entry DOI: 10.7270/Q2CZ386T |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50382548
(CHEMBL2022995)Show SMILES Cc1cccc(c1)C(CC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H25NO2/c1-18-9-8-14-21(17-18)24(16-15-22(25)23(26)27,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17,22H,15-16,25H2,1H3,(H,26,27)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Beatson Institute for Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 55: 1511-25 (2012)
Article DOI: 10.1021/jm201195m
BindingDB Entry DOI: 10.7270/Q2CZ386T |
More data for this
Ligand-Target Pair | |
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