Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'nielsen' and Initial = 'aj'   

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))	BDBM50509915 (CHEMBL4441579) Show SMILES Clc1ccc(\C=C(/Cn2ccnn2)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C17H13Cl2N3/c18-16-5-1-13(2-6-16)11-15(12-22-10-9-20-21-22)14-3-7-17(19)8-4-14/h1-11H,12H2/b15-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	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 CYP19A1 using DBF as substrate measured after 1 hr by fluorescence assay				Bioorg Med Chem Lett 29: 1395-1398 (2019) Article DOI: 10.1016/j.bmcl.2019.03.033 BindingDB Entry DOI: 10.7270/Q2F1932J
					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))	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))	BDBM50509909 (CHEMBL4450923) Show SMILES Brc1ccc(\C=C(/Cn2ccnn2)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C17H13Br2N3/c18-16-5-1-13(2-6-16)11-15(12-22-10-9-20-21-22)14-3-7-17(19)8-4-14/h1-11H,12H2/b15-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	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 CYP19A1 using DBF as substrate measured after 1 hr by fluorescence assay				Bioorg Med Chem Lett 29: 1395-1398 (2019) Article DOI: 10.1016/j.bmcl.2019.03.033 BindingDB Entry DOI: 10.7270/Q2F1932J
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50509907 (CHEMBL4545917) Show SMILES C(\C(=C/c1ccccc1)c1ccccc1)n1cncn1 Show InChI InChI=1S/C17H15N3/c1-3-7-15(8-4-1)11-17(12-20-14-18-13-19-20)16-9-5-2-6-10-16/h1-11,13-14H,12H2/b17-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	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 CYP19A1 using DBF as substrate measured after 1 hr by fluorescence assay				Bioorg Med Chem Lett 29: 1395-1398 (2019) Article DOI: 10.1016/j.bmcl.2019.03.033 BindingDB Entry DOI: 10.7270/Q2F1932J
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50509911 (CHEMBL4561656) Show SMILES Clc1ccc(cc1)C(\Cn1ccnn1)=C\c1ccccc1 Show InChI InChI=1S/C17H14ClN3/c18-17-8-6-15(7-9-17)16(13-21-11-10-19-20-21)12-14-4-2-1-3-5-14/h1-12H,13H2/b16-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	57	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 CYP19A1 using DBF as substrate measured after 1 hr by fluorescence assay				Bioorg Med Chem Lett 29: 1395-1398 (2019) Article DOI: 10.1016/j.bmcl.2019.03.033 BindingDB Entry DOI: 10.7270/Q2F1932J
					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))	BDBM50509910 (CHEMBL4468933) Show SMILES Brc1ccc(cc1)C(\Cn1ccnn1)=C\c1ccccc1 Show InChI InChI=1S/C17H14BrN3/c18-17-8-6-15(7-9-17)16(13-21-11-10-19-20-21)12-14-4-2-1-3-5-14/h1-12H,13H2/b16-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	74	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 CYP19A1 using DBF as substrate measured after 1 hr by fluorescence assay				Bioorg Med Chem Lett 29: 1395-1398 (2019) Article DOI: 10.1016/j.bmcl.2019.03.033 BindingDB Entry DOI: 10.7270/Q2F1932J
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50509914 (CHEMBL4526477) Show SMILES C(\C(=C\c1ccccc1)c1ccccc1)n1cncn1 Show InChI InChI=1S/C17H15N3/c1-3-7-15(8-4-1)11-17(12-20-14-18-13-19-20)16-9-5-2-6-10-16/h1-11,13-14H,12H2/b17-11-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	79	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 CYP19A1 using DBF as substrate measured after 1 hr by fluorescence assay				Bioorg Med Chem Lett 29: 1395-1398 (2019) Article DOI: 10.1016/j.bmcl.2019.03.033 BindingDB Entry DOI: 10.7270/Q2F1932J
					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))	BDBM50509916 (CHEMBL4468397) Show SMILES Clc1ccc(cc1)C(\Cn1ccnn1)=C/c1ccccc1 Show InChI InChI=1S/C17H14ClN3/c18-17-8-6-15(7-9-17)16(13-21-11-10-19-20-21)12-14-4-2-1-3-5-14/h1-12H,13H2/b16-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	81	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 CYP19A1 using DBF as substrate measured after 1 hr by fluorescence assay				Bioorg Med Chem Lett 29: 1395-1398 (2019) Article DOI: 10.1016/j.bmcl.2019.03.033 BindingDB Entry DOI: 10.7270/Q2F1932J
					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))	BDBM50509918 (CHEMBL4453517) Show SMILES Clc1ccc(\C=C(\Cn2ccnn2)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C17H13Cl2N3/c18-16-5-1-13(2-6-16)11-15(12-22-10-9-20-21-22)14-3-7-17(19)8-4-14/h1-11H,12H2/b15-11-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	97	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 CYP19A1 using DBF as substrate measured after 1 hr by fluorescence assay				Bioorg Med Chem Lett 29: 1395-1398 (2019) Article DOI: 10.1016/j.bmcl.2019.03.033 BindingDB Entry DOI: 10.7270/Q2F1932J
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50509913 (CHEMBL4437348) Show SMILES C(\C(=C/c1ccccc1)c1ccccc1)n1ccnn1 Show InChI InChI=1S/C17H15N3/c1-3-7-15(8-4-1)13-17(14-20-12-11-18-19-20)16-9-5-2-6-10-16/h1-13H,14H2/b17-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 recombinant human CYP19A1 using DBF as substrate measured after 1 hr by fluorescence assay				Bioorg Med Chem Lett 29: 1395-1398 (2019) Article DOI: 10.1016/j.bmcl.2019.03.033 BindingDB Entry DOI: 10.7270/Q2F1932J
					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))	BDBM50509912 (CHEMBL4562457) Show SMILES Brc1ccc(cc1)C(\Cn1ccnn1)=C/c1ccccc1 Show InChI InChI=1S/C17H14BrN3/c18-17-8-6-15(7-9-17)16(13-21-11-10-19-20-21)12-14-4-2-1-3-5-14/h1-12H,13H2/b16-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	125	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 CYP19A1 using DBF as substrate measured after 1 hr by fluorescence assay				Bioorg Med Chem Lett 29: 1395-1398 (2019) Article DOI: 10.1016/j.bmcl.2019.03.033 BindingDB Entry DOI: 10.7270/Q2F1932J
					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))	BDBM50509917 (CHEMBL4454530) Show SMILES C(\C(=C\c1ccccc1)c1ccccc1)n1ccnn1 Show InChI InChI=1S/C17H15N3/c1-3-7-15(8-4-1)13-17(14-20-12-11-18-19-20)16-9-5-2-6-10-16/h1-13H,14H2/b17-13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	180	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 CYP19A1 using DBF as substrate measured after 1 hr by fluorescence assay				Bioorg Med Chem Lett 29: 1395-1398 (2019) Article DOI: 10.1016/j.bmcl.2019.03.033 BindingDB Entry DOI: 10.7270/Q2F1932J
					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))	BDBM50509908 (CHEMBL4582591) Show SMILES C(C(Cn1ccnn1)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C17H17N3/c1-3-7-15(8-4-1)13-17(14-20-12-11-18-19-20)16-9-5-2-6-10-16/h1-12,17H,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	290	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 CYP19A1 using DBF as substrate measured after 1 hr by fluorescence assay				Bioorg Med Chem Lett 29: 1395-1398 (2019) Article DOI: 10.1016/j.bmcl.2019.03.033 BindingDB Entry DOI: 10.7270/Q2F1932J
					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))	BDBM50509906 (CHEMBL4454152) Show SMILES Brc1ccc(\C=C(\Cn2ccnn2)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C17H13Br2N3/c18-16-5-1-13(2-6-16)11-15(12-22-10-9-20-21-22)14-3-7-17(19)8-4-14/h1-11H,12H2/b15-11-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	450	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 CYP19A1 using DBF as substrate measured after 1 hr by fluorescence assay				Bioorg Med Chem Lett 29: 1395-1398 (2019) Article DOI: 10.1016/j.bmcl.2019.03.033 BindingDB Entry DOI: 10.7270/Q2F1932J
					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