Found 5 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)) | BDBM50266776
(CHEMBL4066553)Show SMILES CC1(COc2ccc(OC(F)(F)F)cc2)CCn2cc(nc2O1)[N+]([O-])=O Show InChI InChI=1S/C15H14F3N3O5/c1-14(6-7-20-8-12(21(22)23)19-13(20)26-14)9-24-10-2-4-11(5-3-10)25-15(16,17)18/h2-5,8H,6-7,9H2,1H3 | 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 | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human ERG expressed in CHOK1 cells by patch clamp method |
J Med Chem 60: 4212-4233 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00034 BindingDB Entry DOI: 10.7270/Q20867T9 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50266762
(CHEMBL218974)Show SMILES C[C@]1(COc2ccc(OC(F)(F)F)cc2)Cn2cc(nc2O1)[N+]([O-])=O |r| Show InChI InChI=1S/C14H12F3N3O5/c1-13(7-19-6-11(20(21)22)18-12(19)25-13)8-23-9-2-4-10(5-3-9)24-14(15,16)17/h2-6H,7-8H2,1H3/t13-/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 | 1.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human ERG expressed in CHOK1 cells by patch clamp method |
J Med Chem 60: 4212-4233 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00034 BindingDB Entry DOI: 10.7270/Q20867T9 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50266762
(CHEMBL218974)Show SMILES C[C@]1(COc2ccc(OC(F)(F)F)cc2)Cn2cc(nc2O1)[N+]([O-])=O |r| Show InChI InChI=1S/C14H12F3N3O5/c1-13(7-19-6-11(20(21)22)18-12(19)25-13)8-23-9-2-4-10(5-3-9)24-14(15,16)17/h2-6H,7-8H2,1H3/t13-/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 | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human liver microsomes assessed as decrease in formation of 6beta-hydroxytestosterone from testosterone after 10 mins by LC-M... |
J Med Chem 60: 4212-4233 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00034 BindingDB Entry DOI: 10.7270/Q20867T9 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50266763
(CHEMBL4069220)Show SMILES [O-][N+](=O)c1cn2CC[C@H](COc3ccc(nc3)-c3ccc(F)cc3)Oc2n1 |r| Show InChI InChI=1S/C18H15FN4O4/c19-13-3-1-12(2-4-13)16-6-5-14(9-20-16)26-11-15-7-8-22-10-17(23(24)25)21-18(22)27-15/h1-6,9-10,15H,7-8,11H2/t15-/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 |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human ERG expressed in CHOK1 cells by patch clamp method |
J Med Chem 60: 4212-4233 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00034 BindingDB Entry DOI: 10.7270/Q20867T9 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50266763
(CHEMBL4069220)Show SMILES [O-][N+](=O)c1cn2CC[C@H](COc3ccc(nc3)-c3ccc(F)cc3)Oc2n1 |r| Show InChI InChI=1S/C18H15FN4O4/c19-13-3-1-12(2-4-13)16-6-5-14(9-20-16)26-11-15-7-8-22-10-17(23(24)25)21-18(22)27-15/h1-6,9-10,15H,7-8,11H2/t15-/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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human liver microsomes assessed as decrease in formation of 6beta-hydroxytestosterone from testosterone after 10 mins by LC-M... |
J Med Chem 60: 4212-4233 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00034 BindingDB Entry DOI: 10.7270/Q20867T9 |
More data for this Ligand-Target Pair | |