Found 31 hits with Last Name = 'vurgun' and Initial = 'n' 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 |
Aromatase
(Homo sapiens (Human)) | BDBM50442776
(CHEMBL2443348)Show SMILES COCO[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C19H20BrN3O2/c1-24-14-25-19(16-7-9-17(20)10-8-16)18(13-23-12-11-21-22-23)15-5-3-2-4-6-15/h2-12,18-19H,13-14H2,1H3/t18-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay |
Bioorg Med Chem Lett 23: 6060-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.030 BindingDB Entry DOI: 10.7270/Q2QJ7JQB |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50442766
(CHEMBL2443358)Show SMILES COCO[C@H]([C@H](Cn1ccnn1)c1ccc(Br)cc1)c1ccccc1 |r| Show InChI InChI=1S/C19H20BrN3O2/c1-24-14-25-19(16-5-3-2-4-6-16)18(13-23-12-11-21-22-23)15-7-9-17(20)10-8-15/h2-12,18-19H,13-14H2,1H3/t18-,19+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay |
Bioorg Med Chem Lett 23: 6060-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.030 BindingDB Entry DOI: 10.7270/Q2QJ7JQB |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50360383
(CHEMBL1933700)Show SMILES O[C@@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C17H17N3O/c21-17(15-9-5-2-6-10-15)16(13-20-12-11-18-19-20)14-7-3-1-4-8-14/h1-12,16-17,21H,13H2/t16-,17+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant aromatase assessed as conversion of O-dibenzylfluorescein benzyl ester substrate to fluorescein byproduct by fluorome... |
Bioorg Med Chem Lett 22: 718-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.039 BindingDB Entry DOI: 10.7270/Q2PV6KS2 |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50360381
(CHEMBL1933694)Show SMILES CC(=O)O[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C19H19N3O2/c1-15(23)24-19(17-10-6-3-7-11-17)18(14-22-13-12-20-21-22)16-8-4-2-5-9-16/h2-13,18-19H,14H2,1H3/t18-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant aromatase assessed as conversion of O-dibenzylfluorescein benzyl ester substrate to fluorescein byproduct by fluorome... |
Bioorg Med Chem Lett 22: 718-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.039 BindingDB Entry DOI: 10.7270/Q2PV6KS2 |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50442767
(CHEMBL2443357)Show SMILES COCO[C@H]([C@H](Cn1ccnn1)c1ccccc1)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C19H20BrN3O2/c1-24-14-25-19(16-7-9-17(20)10-8-16)18(13-23-12-11-21-22-23)15-5-3-2-4-6-15/h2-12,18-19H,13-14H2,1H3/t18-,19+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay |
Bioorg Med Chem Lett 23: 6060-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.030 BindingDB Entry DOI: 10.7270/Q2QJ7JQB |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50442777
(CHEMBL2443365)Show SMILES COCO[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H20FN3O2/c1-24-14-25-19(16-7-9-17(20)10-8-16)18(13-23-12-11-21-22-23)15-5-3-2-4-6-15/h2-12,18-19H,13-14H2,1H3/t18-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay |
Bioorg Med Chem Lett 23: 6060-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.030 BindingDB Entry DOI: 10.7270/Q2QJ7JQB |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50360382
(CHEMBL1933699)Show SMILES COCO[C@@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C19H21N3O2/c1-23-15-24-19(17-10-6-3-7-11-17)18(14-22-13-12-20-21-22)16-8-4-2-5-9-16/h2-13,18-19H,14-15H2,1H3/t18-,19+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant aromatase assessed as conversion of O-dibenzylfluorescein benzyl ester substrate to fluorescein byproduct by fluorome... |
Bioorg Med Chem Lett 22: 718-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.039 BindingDB Entry DOI: 10.7270/Q2PV6KS2 |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50442770
(CHEMBL2443354)Show SMILES CC(=O)O[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C19H18BrN3O2/c1-14(24)25-19(16-7-9-17(20)10-8-16)18(13-23-12-11-21-22-23)15-5-3-2-4-6-15/h2-12,18-19H,13H2,1H3/t18-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay |
Bioorg Med Chem Lett 23: 6060-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.030 BindingDB Entry DOI: 10.7270/Q2QJ7JQB |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50360380
(CHEMBL1933693)Show SMILES O=C(O[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H21N3O2/c28-24(21-14-8-3-9-15-21)29-23(20-12-6-2-7-13-20)22(18-27-17-16-25-26-27)19-10-4-1-5-11-19/h1-17,22-23H,18H2/t22-,23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant aromatase assessed as conversion of O-dibenzylfluorescein benzyl ester substrate to fluorescein byproduct by fluorome... |
Bioorg Med Chem Lett 22: 718-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.039 BindingDB Entry DOI: 10.7270/Q2PV6KS2 |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50442771
(CHEMBL2443353)Show SMILES CC(=O)O[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H18FN3O2/c1-14(24)25-19(16-7-9-17(20)10-8-16)18(13-23-12-11-21-22-23)15-5-3-2-4-6-15/h2-12,18-19H,13H2,1H3/t18-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay |
Bioorg Med Chem Lett 23: 6060-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.030 BindingDB Entry DOI: 10.7270/Q2QJ7JQB |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50442775
(CHEMBL2443349)Show SMILES COCO[C@H]([C@@H](Cn1ccnn1)c1ccc(Br)cc1)c1ccccc1 |r| Show InChI InChI=1S/C19H20BrN3O2/c1-24-14-25-19(16-5-3-2-4-6-16)18(13-23-12-11-21-22-23)15-7-9-17(20)10-8-15/h2-12,18-19H,13-14H2,1H3/t18-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 111 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay |
Bioorg Med Chem Lett 23: 6060-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.030 BindingDB Entry DOI: 10.7270/Q2QJ7JQB |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50442764
(CHEMBL2443360)Show SMILES O[C@H]([C@H](Cn1ccnn1)c1ccccc1)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C17H16BrN3O/c18-15-8-6-14(7-9-15)17(22)16(12-21-11-10-19-20-21)13-4-2-1-3-5-13/h1-11,16-17,22H,12H2/t16-,17+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay |
Bioorg Med Chem Lett 23: 6060-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.030 BindingDB Entry DOI: 10.7270/Q2QJ7JQB |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50442768
(CHEMBL2443356)Show SMILES COCO[C@H]([C@H](Cn1ccnn1)c1ccccc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H20FN3O2/c1-24-14-25-19(16-7-9-17(20)10-8-16)18(13-23-12-11-21-22-23)15-5-3-2-4-6-15/h2-12,18-19H,13-14H2,1H3/t18-,19+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay |
Bioorg Med Chem Lett 23: 6060-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.030 BindingDB Entry DOI: 10.7270/Q2QJ7JQB |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50442773
(CHEMBL2443351)Show SMILES O[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C17H16BrN3O/c18-15-8-6-14(7-9-15)17(22)16(12-21-11-10-19-20-21)13-4-2-1-3-5-13/h1-11,16-17,22H,12H2/t16-,17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay |
Bioorg Med Chem Lett 23: 6060-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.030 BindingDB Entry DOI: 10.7270/Q2QJ7JQB |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50442765
(CHEMBL2443359)Show SMILES O[C@H]([C@H](Cn1ccnn1)c1ccccc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H16FN3O/c18-15-8-6-14(7-9-15)17(22)16(12-21-11-10-19-20-21)13-4-2-1-3-5-13/h1-11,16-17,22H,12H2/t16-,17+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay |
Bioorg Med Chem Lett 23: 6060-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.030 BindingDB Entry DOI: 10.7270/Q2QJ7JQB |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50442769
(CHEMBL2443355)Show SMILES CC(=O)O[C@H]([C@@H](Cn1ccnn1)c1ccc(Br)cc1)c1ccccc1 |r| Show InChI InChI=1S/C19H18BrN3O2/c1-14(24)25-19(16-5-3-2-4-6-16)18(13-23-12-11-21-22-23)15-7-9-17(20)10-8-15/h2-12,18-19H,13H2,1H3/t18-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 237 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay |
Bioorg Med Chem Lett 23: 6060-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.030 BindingDB Entry DOI: 10.7270/Q2QJ7JQB |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50360384
(CHEMBL1933701)Show SMILES CC(=O)O[C@@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C19H19N3O2/c1-15(23)24-19(17-10-6-3-7-11-17)18(14-22-13-12-20-21-22)16-8-4-2-5-9-16/h2-13,18-19H,14H2,1H3/t18-,19+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant aromatase assessed as conversion of O-dibenzylfluorescein benzyl ester substrate to fluorescein byproduct by fluorome... |
Bioorg Med Chem Lett 22: 718-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.039 BindingDB Entry DOI: 10.7270/Q2PV6KS2 |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50442774
(CHEMBL2443350)Show SMILES O[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H16FN3O/c18-15-8-6-14(7-9-15)17(22)16(12-21-11-10-19-20-21)13-4-2-1-3-5-13/h1-11,16-17,22H,12H2/t16-,17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay |
Bioorg Med Chem Lett 23: 6060-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.030 BindingDB Entry DOI: 10.7270/Q2QJ7JQB |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50442762
(CHEMBL2443362)Show SMILES CC(=O)O[C@H]([C@H](Cn1ccnn1)c1ccccc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H18FN3O2/c1-14(24)25-19(16-7-9-17(20)10-8-16)18(13-23-12-11-21-22-23)15-5-3-2-4-6-15/h2-12,18-19H,13H2,1H3/t18-,19+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay |
Bioorg Med Chem Lett 23: 6060-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.030 BindingDB Entry DOI: 10.7270/Q2QJ7JQB |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM31768
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant aromatase assessed as conversion of O-dibenzylfluorescein benzyl ester substrate to fluorescein byproduct by fluorome... |
Bioorg Med Chem Lett 22: 718-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.039 BindingDB Entry DOI: 10.7270/Q2PV6KS2 |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM31768
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant aromatase assessed as conversion of O-dibenzylfluorescein benzyl ester substrate to fluorescein byproduct by fluorome... |
Bioorg Med Chem Lett 22: 718-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.039 BindingDB Entry DOI: 10.7270/Q2PV6KS2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50293603
((2S,3R,4S,4aR)-2,3,4,7-Tetrahydroxy-3,4,4a,5-tetra...)Show SMILES O[C@H]1C=C2[C@@H](NC(=O)c3c(O)c4OCOc4cc23)[C@H](O)[C@@H]1O |r,c:2| Show InChI InChI=1S/C14H13NO7/c16-6-1-5-4-2-7-13(22-3-21-7)11(18)8(4)14(20)15-9(5)12(19)10(6)17/h1-2,6,9-10,12,16-19H,3H2,(H,15,20)/t6-,9+,10+,12-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of human CYP3A4 |
J Nat Prod 74: 106-8 (2011)
Article DOI: 10.1021/np100657w BindingDB Entry DOI: 10.7270/Q2N017JZ |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50442761
(CHEMBL2443364)Show SMILES CC(=O)O[C@H]([C@H](Cn1ccnn1)c1ccc(Br)cc1)c1ccccc1 |r| Show InChI InChI=1S/C19H18BrN3O2/c1-14(24)25-19(16-5-3-2-4-6-16)18(13-23-12-11-21-22-23)15-7-9-17(20)10-8-15/h2-12,18-19H,13H2,1H3/t18-,19+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 647 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay |
Bioorg Med Chem Lett 23: 6060-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.030 BindingDB Entry DOI: 10.7270/Q2QJ7JQB |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50360378
(CHEMBL1933690)Show SMILES COCO[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C19H21N3O2/c1-23-15-24-19(17-10-6-3-7-11-17)18(14-22-13-12-20-21-22)16-8-4-2-5-9-16/h2-13,18-19H,14-15H2,1H3/t18-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant aromatase assessed as conversion of O-dibenzylfluorescein benzyl ester substrate to fluorescein byproduct by fluorome... |
Bioorg Med Chem Lett 22: 718-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.039 BindingDB Entry DOI: 10.7270/Q2PV6KS2 |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50442772
(CHEMBL2443352)Show SMILES O[C@H]([C@@H](Cn1ccnn1)c1ccc(Br)cc1)c1ccccc1 |r| Show InChI InChI=1S/C17H16BrN3O/c18-15-8-6-13(7-9-15)16(12-21-11-10-19-20-21)17(22)14-4-2-1-3-5-14/h1-11,16-17,22H,12H2/t16-,17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay |
Bioorg Med Chem Lett 23: 6060-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.030 BindingDB Entry DOI: 10.7270/Q2QJ7JQB |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50442763
(CHEMBL2443361)Show SMILES O[C@H]([C@H](Cn1ccnn1)c1ccc(Br)cc1)c1ccccc1 |r| Show InChI InChI=1S/C17H16BrN3O/c18-15-8-6-13(7-9-15)16(12-21-11-10-19-20-21)17(22)14-4-2-1-3-5-14/h1-11,16-17,22H,12H2/t16-,17+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 841 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay |
Bioorg Med Chem Lett 23: 6060-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.030 BindingDB Entry DOI: 10.7270/Q2QJ7JQB |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50360379
(CHEMBL1933692)Show InChI InChI=1S/C17H15N3O/c21-17(15-9-5-2-6-10-15)16(13-20-12-11-18-19-20)14-7-3-1-4-8-14/h1-12,16H,13H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant aromatase assessed as conversion of O-dibenzylfluorescein benzyl ester substrate to fluorescein byproduct by fluorome... |
Bioorg Med Chem Lett 22: 718-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.039 BindingDB Entry DOI: 10.7270/Q2PV6KS2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A1
(Homo sapiens (Human)) | BDBM50360379
(CHEMBL1933692)Show InChI InChI=1S/C17H15N3O/c21-17(15-9-5-2-6-10-15)16(13-20-12-11-18-19-20)14-7-3-1-4-8-14/h1-12,16H,13H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 5.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of CYP1A1 |
Bioorg Med Chem Lett 22: 718-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.039 BindingDB Entry DOI: 10.7270/Q2PV6KS2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A1
(Homo sapiens (Human)) | BDBM50360380
(CHEMBL1933693)Show SMILES O=C(O[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H21N3O2/c28-24(21-14-8-3-9-15-21)29-23(20-12-6-2-7-13-20)22(18-27-17-16-25-26-27)19-10-4-1-5-11-19/h1-17,22-23H,18H2/t22-,23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of CYP1A1 |
Bioorg Med Chem Lett 22: 718-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.039 BindingDB Entry DOI: 10.7270/Q2PV6KS2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50360383
(CHEMBL1933700)Show SMILES O[C@@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C17H17N3O/c21-17(15-9-5-2-6-10-15)16(13-20-12-11-18-19-20)14-7-3-1-4-8-14/h1-12,16-17,21H,13H2/t16-,17+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.08E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 718-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.039 BindingDB Entry DOI: 10.7270/Q2PV6KS2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50360378
(CHEMBL1933690)Show SMILES COCO[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C19H21N3O2/c1-23-15-24-19(17-10-6-3-7-11-17)18(14-22-13-12-20-21-22)16-8-4-2-5-9-16/h2-13,18-19H,14-15H2,1H3/t18-,19-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.12E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 718-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.039 BindingDB Entry DOI: 10.7270/Q2PV6KS2 |
More data for this Ligand-Target Pair | |