Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50043547 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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 | |
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