Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50006793 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)) | BDBM50503392
(CHEMBL4545990)Show SMILES FC(F)(F)c1cccc(Nc2cc3[nH]c(Nc4ccc(cn4)N4CCOCC4)nc3cn2)c1 Show InChI InChI=1S/C22H20F3N7O/c23-22(24,25)14-2-1-3-15(10-14)28-20-11-17-18(13-27-20)30-21(29-17)31-19-5-4-16(12-26-19)32-6-8-33-9-7-32/h1-5,10-13H,6-9H2,(H,27,28)(H2,26,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cape Town
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch clamp electrophysiology |
J Med Chem 61: 9371-9385 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01333
BindingDB Entry DOI: 10.7270/Q2222Z1Q |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50503394
(CHEMBL4447741)Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccnc(Nc2nc3cnc(Nc4ccc(F)c(c4)C(F)(F)F)cc3[nH]2)c1 |r| Show InChI InChI=1S/C25H23F4N7O2/c1-13-11-36(12-14(2)38-13)23(37)15-5-6-30-21(7-15)35-24-33-19-9-22(31-10-20(19)34-24)32-16-3-4-18(26)17(8-16)25(27,28)29/h3-10,13-14H,11-12H2,1-2H3,(H,31,32)(H2,30,33,34,35)/t13-,14+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cape Town
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch clamp electrophysiology |
J Med Chem 61: 9371-9385 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01333
BindingDB Entry DOI: 10.7270/Q2222Z1Q |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50503393
(CHEMBL4575250)Show SMILES C[C@H]1CN(C[C@@H](C)N1)C(=O)c1ccnc(Nc2nc3cnc(Nc4ccc(F)c(c4)C(F)(F)F)cc3[nH]2)c1 |r| Show InChI InChI=1S/C25H24F4N8O/c1-13-11-37(12-14(2)32-13)23(38)15-5-6-30-21(7-15)36-24-34-19-9-22(31-10-20(19)35-24)33-16-3-4-18(26)17(8-16)25(27,28)29/h3-10,13-14,32H,11-12H2,1-2H3,(H,31,33)(H2,30,34,35,36)/t13-,14+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cape Town
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch clamp electrophysiology |
J Med Chem 61: 9371-9385 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01333
BindingDB Entry DOI: 10.7270/Q2222Z1Q |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50503391
(CHEMBL4471705)Show SMILES FC(F)(F)c1cccc(Nc2cc3[nH]c(Nc4ccc(cn4)N4CCNCC4)nc3cn2)c1 Show InChI InChI=1S/C22H21F3N8/c23-22(24,25)14-2-1-3-15(10-14)29-20-11-17-18(13-28-20)31-21(30-17)32-19-5-4-16(12-27-19)33-8-6-26-7-9-33/h1-5,10-13,26H,6-9H2,(H,28,29)(H2,27,30,31,32) | 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 |
University of Cape Town
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch clamp electrophysiology |
J Med Chem 61: 9371-9385 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01333
BindingDB Entry DOI: 10.7270/Q2222Z1Q |
More data for this
Ligand-Target Pair | |
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