Found 12 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)) | BDBM50397835
(CHEMBL2178521)Show SMILES COc1cc(Nc2cccc3n(C)c(nc23)-c2ccc(F)cc2)cnc1-n1cnc(C)c1 Show InChI InChI=1S/C24H21FN6O/c1-15-13-31(14-27-15)24-21(32-3)11-18(12-26-24)28-19-5-4-6-20-22(19)29-23(30(20)2)16-7-9-17(25)10-8-16/h4-14,28H,1-3H3 | 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 | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Companies of Johnson& Johnson
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide to human ERG expressed in HEK293 cells |
J Med Chem 55: 9089-106 (2012)
Article DOI: 10.1021/jm201710f BindingDB Entry DOI: 10.7270/Q2D21ZRV |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50397831
(CHEMBL2151218)Show SMILES COc1cc(Nc2cccc3n(C)c(nc23)-c2ccc(F)cc2)ccc1-n1cnc(C)c1 Show InChI InChI=1S/C25H22FN5O/c1-16-14-31(15-27-16)21-12-11-19(13-23(21)32-3)28-20-5-4-6-22-24(20)29-25(30(22)2)17-7-9-18(26)10-8-17/h4-15,28H,1-3H3 | 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 | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Companies of Johnson& Johnson
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide to human ERG expressed in HEK293 cells |
J Med Chem 55: 9089-106 (2012)
Article DOI: 10.1021/jm201710f BindingDB Entry DOI: 10.7270/Q2D21ZRV |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50397830
(CHEMBL2151164)Show SMILES COc1nc(Nc2cccc3n(C)c(nc23)-c2ccc(F)cc2)ccc1-n1cnc(C)c1 Show InChI InChI=1S/C24H21FN6O/c1-15-13-31(14-26-15)20-11-12-21(28-24(20)32-3)27-18-5-4-6-19-22(18)29-23(30(19)2)16-7-9-17(25)10-8-16/h4-14H,1-3H3,(H,27,28) | 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 | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Companies of Johnson& Johnson
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate |
J Med Chem 55: 9089-106 (2012)
Article DOI: 10.1021/jm201710f BindingDB Entry DOI: 10.7270/Q2D21ZRV |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50397830
(CHEMBL2151164)Show SMILES COc1nc(Nc2cccc3n(C)c(nc23)-c2ccc(F)cc2)ccc1-n1cnc(C)c1 Show InChI InChI=1S/C24H21FN6O/c1-15-13-31(14-26-15)20-11-12-21(28-24(20)32-3)27-18-5-4-6-19-22(18)29-23(30(19)2)16-7-9-17(25)10-8-16/h4-14H,1-3H3,(H,27,28) | 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 | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Companies of Johnson& Johnson
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate |
J Med Chem 55: 9089-106 (2012)
Article DOI: 10.1021/jm201710f BindingDB Entry DOI: 10.7270/Q2D21ZRV |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50397830
(CHEMBL2151164)Show SMILES COc1nc(Nc2cccc3n(C)c(nc23)-c2ccc(F)cc2)ccc1-n1cnc(C)c1 Show InChI InChI=1S/C24H21FN6O/c1-15-13-31(14-26-15)20-11-12-21(28-24(20)32-3)27-18-5-4-6-19-22(18)29-23(30(19)2)16-7-9-17(25)10-8-16/h4-14H,1-3H3,(H,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Companies of Johnson& Johnson
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in human liver microsomes using dextrometorphan as substrate |
J Med Chem 55: 9089-106 (2012)
Article DOI: 10.1021/jm201710f BindingDB Entry DOI: 10.7270/Q2D21ZRV |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50397834
(CHEMBL2178522)Show SMILES Cc1cn(cn1)-c1ccc(Nc2cccc3n(C)c(nc23)-c2ccc(F)cc2)nc1 Show InChI InChI=1S/C23H19FN6/c1-15-13-30(14-26-15)18-10-11-21(25-12-18)27-19-4-3-5-20-22(19)28-23(29(20)2)16-6-8-17(24)9-7-16/h3-14H,1-2H3,(H,25,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Companies of Johnson& Johnson
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide to human ERG expressed in HEK293 cells |
J Med Chem 55: 9089-106 (2012)
Article DOI: 10.1021/jm201710f BindingDB Entry DOI: 10.7270/Q2D21ZRV |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50397830
(CHEMBL2151164)Show SMILES COc1nc(Nc2cccc3n(C)c(nc23)-c2ccc(F)cc2)ccc1-n1cnc(C)c1 Show InChI InChI=1S/C24H21FN6O/c1-15-13-31(14-26-15)20-11-12-21(28-24(20)32-3)27-18-5-4-6-19-22(18)29-23(30(19)2)16-7-9-17(25)10-8-16/h4-14H,1-3H3,(H,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Companies of Johnson& Johnson
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide to human ERG expressed in HEK293 cells |
J Med Chem 55: 9089-106 (2012)
Article DOI: 10.1021/jm201710f BindingDB Entry DOI: 10.7270/Q2D21ZRV |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50397830
(CHEMBL2151164)Show SMILES COc1nc(Nc2cccc3n(C)c(nc23)-c2ccc(F)cc2)ccc1-n1cnc(C)c1 Show InChI InChI=1S/C24H21FN6O/c1-15-13-31(14-26-15)20-11-12-21(28-24(20)32-3)27-18-5-4-6-19-22(18)29-23(30(19)2)16-7-9-17(25)10-8-16/h4-14H,1-3H3,(H,27,28) | 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 | 8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Companies of Johnson& Johnson
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate |
J Med Chem 55: 9089-106 (2012)
Article DOI: 10.1021/jm201710f BindingDB Entry DOI: 10.7270/Q2D21ZRV |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50397832
(CHEMBL2178524)Show SMILES Cc1cn(cn1)-c1ccc(Nc2cccc3n(C)c(nc23)-c2ccc(F)cc2)cc1F Show InChI InChI=1S/C24H19F2N5/c1-15-13-31(14-27-15)21-11-10-18(12-19(21)26)28-20-4-3-5-22-23(20)29-24(30(22)2)16-6-8-17(25)9-7-16/h3-14,28H,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Companies of Johnson& Johnson
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide to human ERG expressed in HEK293 cells |
J Med Chem 55: 9089-106 (2012)
Article DOI: 10.1021/jm201710f BindingDB Entry DOI: 10.7270/Q2D21ZRV |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50397833
(CHEMBL2178523)Show SMILES Cc1cn(cn1)-c1ccc(Nc2cccc3n(C)c(nc23)-c2ccc(F)cc2)cn1 Show InChI InChI=1S/C23H19FN6/c1-15-13-30(14-26-15)21-11-10-18(12-25-21)27-19-4-3-5-20-22(19)28-23(29(20)2)16-6-8-17(24)9-7-16/h3-14,27H,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Companies of Johnson& Johnson
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide to human ERG expressed in HEK293 cells |
J Med Chem 55: 9089-106 (2012)
Article DOI: 10.1021/jm201710f BindingDB Entry DOI: 10.7270/Q2D21ZRV |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50397830
(CHEMBL2151164)Show SMILES COc1nc(Nc2cccc3n(C)c(nc23)-c2ccc(F)cc2)ccc1-n1cnc(C)c1 Show InChI InChI=1S/C24H21FN6O/c1-15-13-31(14-26-15)20-11-12-21(28-24(20)32-3)27-18-5-4-6-19-22(18)29-23(30(19)2)16-7-9-17(25)10-8-16/h4-14H,1-3H3,(H,27,28) | 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 | 2.19E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Companies of Johnson& Johnson
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate |
J Med Chem 55: 9089-106 (2012)
Article DOI: 10.1021/jm201710f BindingDB Entry DOI: 10.7270/Q2D21ZRV |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50397830
(CHEMBL2151164)Show SMILES COc1nc(Nc2cccc3n(C)c(nc23)-c2ccc(F)cc2)ccc1-n1cnc(C)c1 Show InChI InChI=1S/C24H21FN6O/c1-15-13-31(14-26-15)20-11-12-21(28-24(20)32-3)27-18-5-4-6-19-22(18)29-23(30(19)2)16-7-9-17(25)10-8-16/h4-14H,1-3H3,(H,27,28) | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Companies of Johnson& Johnson
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate |
J Med Chem 55: 9089-106 (2012)
Article DOI: 10.1021/jm201710f BindingDB Entry DOI: 10.7270/Q2D21ZRV |
More data for this Ligand-Target Pair | |