Compile Data Set for Download or QSAR

Found 27 hits with Last Name = 'carvalho' and Initial = 'ra'   

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))	BDBM50332805 ((3R,4S,5R,8R,9S,10R,13S,14S)-10,13-Dimethyl-hexade...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4[C@@H]5O[C@@H]5CC[C@]34C)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C19H28O2/c1-18-10-8-15-17(21-15)14(18)4-3-11-12-5-6-16(20)19(12,2)9-7-13(11)18/h11-15,17H,3-10H2,1-2H3/t11-,12-,13-,14-,15+,17-,18+,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	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of aromatase in human microsomes using [1beta-3H]androstenedione as substrate after 5 mins by Dixon plot analysis				J Med Chem 55: 3992-4002 (2012) Article DOI: 10.1021/jm300262w BindingDB Entry DOI: 10.7270/Q22V2H52
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50332803 ((5S,8R,9S,10S,13S,14S)-10,13-dimethyl-5,6,7,8,9,10...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C=CCC[C@]34C)[C@@H]1CCC2=O |r,c:9| Show InChI InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3,5,13-16H,4,6-12H2,1-2H3/t13-,14+,15+,16+,18+,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	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of aromatase in human microsomes using [1beta-3H]androstenedione as substrate after 5 mins by Dixon plot analysis				J Med Chem 55: 3992-4002 (2012) Article DOI: 10.1021/jm300262w BindingDB Entry DOI: 10.7270/Q22V2H52
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50388393 (CHEMBL2058266) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4CCC[C@]35C)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C19H28O2/c1-17-10-8-14-12(13(17)5-6-15(17)20)7-11-19-16(21-19)4-3-9-18(14,19)2/h12-14,16H,3-11H2,1-2H3/t12-,13-,14-,16+,17-,18+,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	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of aromatase in human microsomes using [1beta-3H]androstenedione as substrate after 5 mins by Dixon plot analysis				J Med Chem 55: 3992-4002 (2012) Article DOI: 10.1021/jm300262w BindingDB Entry DOI: 10.7270/Q22V2H52
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50388396 (CHEMBL1077603) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O |r,t:8| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,13-16,20H,3-10H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of aromatase in human microsomes using [1beta-3H]androstenedione as substrate after 5 mins by Dixon plot analysis				J Med Chem 55: 3992-4002 (2012) Article DOI: 10.1021/jm300262w BindingDB Entry DOI: 10.7270/Q22V2H52
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50388394 (CHEMBL2058267) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC=CC[C@]34C)[C@@H]1CCC2=O |r,c:10| Show InChI InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3-4,13-16H,5-12H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of aromatase in human microsomes using [1beta-3H]androstenedione as substrate after 5 mins by Dixon plot analysis				J Med Chem 55: 3992-4002 (2012) Article DOI: 10.1021/jm300262w BindingDB Entry DOI: 10.7270/Q22V2H52
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50240798 ((8R,9S,10R,13S,14S)-4-Hydroxy-10,13-dimethyl-1,6,7...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4C(=O)C(=O)CC[C@]34C)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C19H26O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-14H,3-10H2,1-2H3/t11-,12-,13-,14?,18+,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of aromatase in human placental microsomes using [1beta-3H]androstenedione as substrate after 15 mins by liquid scintillation counting				J Med Chem 55: 3992-4002 (2012) Article DOI: 10.1021/jm300262w BindingDB Entry DOI: 10.7270/Q22V2H52
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50398447 (Aromasin | EXEMESTANE) Show SMILES C[C@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O |r,c:13,t:9| Show InChI InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of human placental microsome aromatase using [1beta-3H] androstenedione as substrate after 15 mins by liquid scintillation counting				Eur J Med Chem 87: 336-45 (2014) Article DOI: 10.1016/j.ejmech.2014.09.074 BindingDB Entry DOI: 10.7270/Q2JH3NWD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aromatase (Homo sapiens (Human))	BDBM50069753 (CHEMBL3407538) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=C)C2=CC(=O)C=C[C@]12C |r,c:23,t:19| Show InChI InChI=1S/C20H26O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16,18,22H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,18-,19+,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of human placental microsome aromatase using [1beta-3H] androstenedione as substrate after 15 mins by liquid scintillation counting				Eur J Med Chem 87: 336-45 (2014) Article DOI: 10.1016/j.ejmech.2014.09.074 BindingDB Entry DOI: 10.7270/Q2JH3NWD
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50168058 (CHEMBL3798461) Show SMILES [H][C@]12C[C@@]1([H])[C@]1([H])CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC2 |r| Show InChI InChI=1S/C20H30O/c1-19-9-7-12-11-14(12)16(19)4-3-13-15-5-6-18(21)20(15,2)10-8-17(13)19/h12-17H,3-11H2,1-2H3/t12-,13-,14+,15-,16-,17-,19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of aromatase in human placental microsomes using [1beta-3H]-androstenedione as substrate assessed as tritiated H2O release after 15 mins b...				Bioorg Med Chem 24: 2823-31 (2016) Article DOI: 10.1016/j.bmc.2016.04.056 BindingDB Entry DOI: 10.7270/Q2H70HRR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50332807 ((8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,7,8,9,10,11...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@]34C)[C@@H]1CCC2=O |r,t:8| Show InChI InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h5,14-16H,3-4,6-12H2,1-2H3/t14-,15-,16-,18-,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	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of aromatase in human placental microsomes using [1beta-3H]androstenedione as substrate after 15 mins by liquid scintillation counting				J Med Chem 55: 3992-4002 (2012) Article DOI: 10.1021/jm300262w BindingDB Entry DOI: 10.7270/Q22V2H52
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50332805 ((3R,4S,5R,8R,9S,10R,13S,14S)-10,13-Dimethyl-hexade...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4[C@@H]5O[C@@H]5CC[C@]34C)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C19H28O2/c1-18-10-8-15-17(21-15)14(18)4-3-11-12-5-6-16(20)19(12,2)9-7-13(11)18/h11-15,17H,3-10H2,1-2H3/t11-,12-,13-,14-,15+,17-,18+,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	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of aromatase in human placental microsomes using [1beta-3H]androstenedione as substrate after 15 mins by liquid scintillation counting				J Med Chem 55: 3992-4002 (2012) Article DOI: 10.1021/jm300262w BindingDB Entry DOI: 10.7270/Q22V2H52
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50388396 (CHEMBL1077603) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O |r,t:8| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,13-16,20H,3-10H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	183	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of aromatase in human placental microsomes using [1beta-3H]androstenedione as substrate after 15 mins by liquid scintillation counting				J Med Chem 55: 3992-4002 (2012) Article DOI: 10.1021/jm300262w BindingDB Entry DOI: 10.7270/Q22V2H52
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50332803 ((5S,8R,9S,10S,13S,14S)-10,13-dimethyl-5,6,7,8,9,10...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C=CCC[C@]34C)[C@@H]1CCC2=O |r,c:9| Show InChI InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3,5,13-16H,4,6-12H2,1-2H3/t13-,14+,15+,16+,18+,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	n/a	n/a	225	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of aromatase in human placental microsomes using [1beta-3H]androstenedione as substrate after 15 mins by liquid scintillation counting				J Med Chem 55: 3992-4002 (2012) Article DOI: 10.1021/jm300262w BindingDB Entry DOI: 10.7270/Q22V2H52
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50069753 (CHEMBL3407538) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=C)C2=CC(=O)C=C[C@]12C |r,c:23,t:19| Show InChI InChI=1S/C20H26O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16,18,22H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,18-,19+,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of human placental microsome aromatase expressed in human MCF7 cells using [1beta-3H] androstenedione as substrate after 1 hr by liquid sc...				Eur J Med Chem 87: 336-45 (2014) Article DOI: 10.1016/j.ejmech.2014.09.074 BindingDB Entry DOI: 10.7270/Q2JH3NWD
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50168056 (CHEMBL3799363) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC=C1[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,c:10,t:17| Show InChI InChI=1S/C19H24O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h8,11,14-15H,3-7,9-10H2,1-2H3/t14-,15-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of aromatase in human placental microsomes using [1beta-3H]-androstenedione as substrate assessed as tritiated H2O release after 15 mins b...				Bioorg Med Chem 24: 2823-31 (2016) Article DOI: 10.1016/j.bmc.2016.04.056 BindingDB Entry DOI: 10.7270/Q2H70HRR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50123151 (CHEMBL3623223) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](CC=C)CC2=CC(=O)C=C[C@]12C |r,c:25,t:21| Show InChI InChI=1S/C22H28O2/c1-4-5-14-12-15-13-16(23)8-10-21(15,2)18-9-11-22(3)17(20(14)18)6-7-19(22)24/h4,8,10,13-14,17-18,20H,1,5-7,9,11-12H2,2-3H3/t14-,17+,18+,20+,21+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of aromatase in human placental microsomes using [1beta-3H]-androstenedione as substrate assessed as tritiated H2O release after 15 mins b...				Bioorg Med Chem 24: 2823-31 (2016) Article DOI: 10.1016/j.bmc.2016.04.056 BindingDB Entry DOI: 10.7270/Q2H70HRR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50168057 (CHEMBL3800417) Show SMILES [H][C@]12CCC[C@]3(C)[C@@]4([H])CC[C@]5(C)C(=O)CC[C@@]5([H])[C@]4([H])CC[C@]13O2 |r| Show InChI InChI=1S/C19H28O2/c1-17-10-8-14-12(13(17)5-6-15(17)20)7-11-19-16(21-19)4-3-9-18(14,19)2/h12-14,16H,3-11H2,1-2H3/t12-,13-,14-,16-,17-,18+,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	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of aromatase in human placental microsomes using [1beta-3H]-androstenedione as substrate assessed as tritiated H2O release after 15 mins b...				Bioorg Med Chem 24: 2823-31 (2016) Article DOI: 10.1016/j.bmc.2016.04.056 BindingDB Entry DOI: 10.7270/Q2H70HRR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50069755 (CHEMBL3407536) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@]2(CO2)C2=CC(=O)C=C[C@]12C |r,c:25,t:21| Show InChI InChI=1S/C20H24O3/c1-18-7-5-12(21)9-16(18)20(11-23-20)10-13-14-3-4-17(22)19(14,2)8-6-15(13)18/h5,7,9,13-15H,3-4,6,8,10-11H2,1-2H3/t13-,14-,15-,18+,19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of human placental microsome aromatase using [1beta-3H] androstenedione as substrate after 15 mins by liquid scintillation counting				Eur J Med Chem 87: 336-45 (2014) Article DOI: 10.1016/j.ejmech.2014.09.074 BindingDB Entry DOI: 10.7270/Q2JH3NWD
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50069752 (CHEMBL3407539) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CO)C2=CC(=O)C=C[C@]12C |r,c:24,t:16,20| Show InChI InChI=1S/C20H24O3/c1-19-7-5-13(22)10-17(19)12(11-21)9-14-15-3-4-18(23)20(15,2)8-6-16(14)19/h5,7,9-10,14-16,21H,3-4,6,8,11H2,1-2H3/t14-,15-,16-,19+,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of human placental microsome aromatase using [1beta-3H] androstenedione as substrate after 15 mins by liquid scintillation counting				Eur J Med Chem 87: 336-45 (2014) Article DOI: 10.1016/j.ejmech.2014.09.074 BindingDB Entry DOI: 10.7270/Q2JH3NWD
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50069755 (CHEMBL3407536) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@]2(CO2)C2=CC(=O)C=C[C@]12C |r,c:25,t:21| Show InChI InChI=1S/C20H24O3/c1-18-7-5-12(21)9-16(18)20(11-23-20)10-13-14-3-4-17(22)19(14,2)8-6-15(13)18/h5,7,9,13-15H,3-4,6,8,10-11H2,1-2H3/t13-,14-,15-,18+,19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of human placental microsome aromatase expressed in human MCF7 cells using [1beta-3H] androstenedione as substrate after 1 hr by liquid sc...				Eur J Med Chem 87: 336-45 (2014) Article DOI: 10.1016/j.ejmech.2014.09.074 BindingDB Entry DOI: 10.7270/Q2JH3NWD
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50069754 (CHEMBL3407537) Show SMILES [H][C@@]12O[C@]1([H])[C@@]1(C)C(=CC2=O)C(=C)C[C@@]2([H])[C@]3([H])CCC(=O)[C@@]3(C)CC[C@]12[H] |r,c:8| Show InChI InChI=1S/C20H24O3/c1-10-8-11-12-4-5-16(22)19(12,2)7-6-13(11)20(3)14(10)9-15(21)17-18(20)23-17/h9,11-13,17-18H,1,4-8H2,2-3H3/t11-,12-,13-,17-,18-,19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of human placental microsome aromatase using [1beta-3H] androstenedione as substrate after 15 mins by liquid scintillation counting				Eur J Med Chem 87: 336-45 (2014) Article DOI: 10.1016/j.ejmech.2014.09.074 BindingDB Entry DOI: 10.7270/Q2JH3NWD
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50398447 (Aromasin | EXEMESTANE) Show SMILES C[C@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O |r,c:13,t:9| Show InChI InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of human placental microsome aromatase expressed in human MCF7 cells using [1beta-3H] androstenedione as substrate after 1 hr by liquid sc...				Eur J Med Chem 87: 336-45 (2014) Article DOI: 10.1016/j.ejmech.2014.09.074 BindingDB Entry DOI: 10.7270/Q2JH3NWD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aromatase (Homo sapiens (Human))	BDBM50388393 (CHEMBL2058266) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4CCC[C@]35C)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C19H28O2/c1-17-10-8-14-12(13(17)5-6-15(17)20)7-11-19-16(21-19)4-3-9-18(14,19)2/h12-14,16H,3-11H2,1-2H3/t12-,13-,14-,16+,17-,18+,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	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of aromatase in human placental microsomes using [1beta-3H]androstenedione as substrate after 15 mins by liquid scintillation counting				J Med Chem 55: 3992-4002 (2012) Article DOI: 10.1021/jm300262w BindingDB Entry DOI: 10.7270/Q22V2H52
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50069752 (CHEMBL3407539) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CO)C2=CC(=O)C=C[C@]12C |r,c:24,t:16,20| Show InChI InChI=1S/C20H24O3/c1-19-7-5-13(22)10-17(19)12(11-21)9-14-15-3-4-18(23)20(15,2)8-6-16(14)19/h5,7,9-10,14-16,21H,3-4,6,8,11H2,1-2H3/t14-,15-,16-,19+,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of human placental microsome aromatase expressed in human MCF7 cells using [1beta-3H] androstenedione as substrate after 1 hr by liquid sc...				Eur J Med Chem 87: 336-45 (2014) Article DOI: 10.1016/j.ejmech.2014.09.074 BindingDB Entry DOI: 10.7270/Q2JH3NWD
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50388395 (CHEMBL2058268) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H]5O[C@@H]5C[C@]34C)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C19H28O2/c1-18-8-7-14-12(13(18)5-6-17(18)20)4-3-11-9-15-16(21-15)10-19(11,14)2/h11-16H,3-10H2,1-2H3/t11-,12-,13-,14-,15-,16+,18-,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	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of aromatase in human placental microsomes using [1beta-3H]androstenedione as substrate after 15 mins by liquid scintillation counting				J Med Chem 55: 3992-4002 (2012) Article DOI: 10.1021/jm300262w BindingDB Entry DOI: 10.7270/Q22V2H52
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50069754 (CHEMBL3407537) Show SMILES [H][C@@]12O[C@]1([H])[C@@]1(C)C(=CC2=O)C(=C)C[C@@]2([H])[C@]3([H])CCC(=O)[C@@]3(C)CC[C@]12[H] |r,c:8| Show InChI InChI=1S/C20H24O3/c1-10-8-11-12-4-5-16(22)19(12,2)7-6-13(11)20(3)14(10)9-15(21)17-18(20)23-17/h9,11-13,17-18H,1,4-8H2,2-3H3/t11-,12-,13-,17-,18-,19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of human placental microsome aromatase expressed in human MCF7 cells using [1beta-3H] androstenedione as substrate after 1 hr by liquid sc...				Eur J Med Chem 87: 336-45 (2014) Article DOI: 10.1016/j.ejmech.2014.09.074 BindingDB Entry DOI: 10.7270/Q2JH3NWD
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50388394 (CHEMBL2058267) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC=CC[C@]34C)[C@@H]1CCC2=O |r,c:10| Show InChI InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3-4,13-16H,5-12H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of aromatase in human placental microsomes using [1beta-3H]androstenedione as substrate after 15 mins by liquid scintillation counting				J Med Chem 55: 3992-4002 (2012) Article DOI: 10.1021/jm300262w BindingDB Entry DOI: 10.7270/Q22V2H52
					More data for this Ligand-Target Pair