Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'costa' and Initial = 'sc'   

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))	BDBM50135997 (CHEMBL3754471) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C |r,t:19| Show InChI InChI=1S/C20H28O2/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/h11-12,14-16H,4-10H2,1-3H3/t12-,14-,15-,16-,19+,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Competitive irreversible inhibition of human placental microsome aromatase using varying levels of [1beta3H]-androstenedione as substrate measured af...				J Med Chem 62: 3636-3657 (2019) Article DOI: 10.1021/acs.jmedchem.9b00157 BindingDB Entry DOI: 10.7270/Q2N301CW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50135997 (CHEMBL3754471) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C |r,t:19| Show InChI InChI=1S/C20H28O2/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/h11-12,14-16H,4-10H2,1-3H3/t12-,14-,15-,16-,19+,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Competitive reversible inhibition of human placental microsome aromatase using varying levels of [1beta3H]-androstenedione as substrate measured afte...				J Med Chem 62: 3636-3657 (2019) Article DOI: 10.1021/acs.jmedchem.9b00157 BindingDB Entry DOI: 10.7270/Q2N301CW
					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	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Competitive inhibition of human placental microsome aromatase using varying levels of [1beta2beta3H]-androstenedione as substrate				J Med Chem 62: 3636-3657 (2019) Article DOI: 10.1021/acs.jmedchem.9b00157 BindingDB Entry DOI: 10.7270/Q2N301CW
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	BDBM50523404 (CHEMBL4575994) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](CC=C)C2=CC(=O)C=C[C@]12C |r,c:25,t:21| Show InChI InChI=1S/C22H28O2/c1-4-5-14-12-16-17-6-7-20(24)22(17,3)11-9-18(16)21(2)10-8-15(23)13-19(14)21/h4,8,10,13-14,16-18H,1,5-7,9,11-12H2,2-3H3/t14-,16-,17-,18-,21+,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	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 [1beta3H]-androstenedione as substrate measured after 15 mins in presence of NADPH by liquid ...				J Med Chem 62: 3636-3657 (2019) Article DOI: 10.1021/acs.jmedchem.9b00157 BindingDB Entry DOI: 10.7270/Q2N301CW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50135997 (CHEMBL3754471) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C |r,t:19| Show InChI InChI=1S/C20H28O2/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/h11-12,14-16H,4-10H2,1-3H3/t12-,14-,15-,16-,19+,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	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 [1beta3H]-androstenedione as substrate measured after 15 mins in presence of NADPH by liquid ...				J Med Chem 62: 3636-3657 (2019) Article DOI: 10.1021/acs.jmedchem.9b00157 BindingDB Entry DOI: 10.7270/Q2N301CW
					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	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))	BDBM50523395 (CHEMBL4514728) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](CC=C)C2=CC(=O)CC[C@]12C |r,t:21| Show InChI InChI=1S/C22H30O2/c1-4-5-14-12-16-17-6-7-20(24)22(17,3)11-9-18(16)21(2)10-8-15(23)13-19(14)21/h4,13-14,16-18H,1,5-12H2,2-3H3/t14-,16-,17-,18-,21+,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	105	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 [1beta3H]-androstenedione as substrate measured after 15 mins in presence of NADPH by liquid ...				J Med Chem 62: 3636-3657 (2019) Article DOI: 10.1021/acs.jmedchem.9b00157 BindingDB Entry DOI: 10.7270/Q2N301CW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50523399 (CHEMBL4454575) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](CC=C)CC2=C(O)C(=O)CC[C@]12C |r,c:21| Show InChI InChI=1S/C22H30O3/c1-4-5-13-12-16-20(25)17(23)9-11-21(16,2)15-8-10-22(3)14(19(13)15)6-7-18(22)24/h4,13-15,19,25H,1,5-12H2,2-3H3/t13-,14+,15+,19+,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 human placental microsome aromatase using [1beta3H]-androstenedione as substrate measured after 15 mins in presence of NADPH by liquid ...				J Med Chem 62: 3636-3657 (2019) Article DOI: 10.1021/acs.jmedchem.9b00157 BindingDB Entry DOI: 10.7270/Q2N301CW
					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))	BDBM50135862 (CHEMBL3751881) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CCCC[C@]12C |r,t:19| Show InChI InChI=1S/C20H30O/c1-13-12-14-16-7-8-18(21)20(16,3)11-9-17(14)19(2)10-5-4-6-15(13)19/h6,13-14,16-17H,4-5,7-12H2,1-3H3/t13-,14-,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 Patents	Article PubMed	n/a	n/a	170	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 [1beta3H]-androstenedione as substrate measured after 15 mins in presence of NADPH by liquid ...				J Med Chem 62: 3636-3657 (2019) Article DOI: 10.1021/acs.jmedchem.9b00157 BindingDB Entry DOI: 10.7270/Q2N301CW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50523403 (CHEMBL4460869) Show SMILES [H][C@@]12CC[C@@]3(C)[C@@]([H])([C@@H](C)C[C@@]4([H])[C@]5([H])CCC(=O)[C@@]5(C)CC[C@]34[H])[C@]1([H])O2 |r| Show InChI InChI=1S/C20H30O2/c1-11-10-12-13-4-5-16(21)19(13,2)8-6-14(12)20(3)9-7-15-18(22-15)17(11)20/h11-15,17-18H,4-10H2,1-3H3/t11-,12-,13-,14-,15+,17-,18+,19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	175	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 [1beta3H]-androstenedione as substrate measured after 15 mins in presence of NADPH by liquid ...				J Med Chem 62: 3636-3657 (2019) Article DOI: 10.1021/acs.jmedchem.9b00157 BindingDB Entry DOI: 10.7270/Q2N301CW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50523400 (CHEMBL4520056) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](CC=C)C2=CCCC[C@]12C |r,t:21| Show InChI InChI=1S/C22H32O/c1-4-7-15-14-16-18-9-10-20(23)22(18,3)13-11-19(16)21(2)12-6-5-8-17(15)21/h4,8,15-16,18-19H,1,5-7,9-14H2,2-3H3/t15-,16-,18-,19-,21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	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 [1beta3H]-androstenedione as substrate measured after 15 mins in presence of NADPH by liquid ...				J Med Chem 62: 3636-3657 (2019) Article DOI: 10.1021/acs.jmedchem.9b00157 BindingDB Entry DOI: 10.7270/Q2N301CW
					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))	BDBM50523396 (CHEMBL487113) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](C)CC2=CC(=O)CC[C@]12C |r,t:19| Show InChI InChI=1S/C20H28O2/c1-12-10-13-11-14(21)6-8-19(13,2)16-7-9-20(3)15(18(12)16)4-5-17(20)22/h11-12,15-16,18H,4-10H2,1-3H3/t12-,15+,16+,18+,19+,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	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 [1beta3H]-androstenedione as substrate measured after 15 mins in presence of NADPH by liquid ...				J Med Chem 62: 3636-3657 (2019) Article DOI: 10.1021/acs.jmedchem.9b00157 BindingDB Entry DOI: 10.7270/Q2N301CW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50523397 (CHEMBL4451962) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](C)CC2=CCCC[C@]12C |r,t:19| Show InChI InChI=1S/C20H30O/c1-13-12-14-6-4-5-10-19(14,2)16-9-11-20(3)15(18(13)16)7-8-17(20)21/h6,13,15-16,18H,4-5,7-12H2,1-3H3/t13-,15+,16+,18+,19+,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	405	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 [1beta3H]-androstenedione as substrate measured after 15 mins in presence of NADPH by liquid ...				J Med Chem 62: 3636-3657 (2019) Article DOI: 10.1021/acs.jmedchem.9b00157 BindingDB Entry DOI: 10.7270/Q2N301CW
					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))	BDBM50523402 (CHEMBL4468497) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](CC=C)C2=C(O)C(=O)CC[C@]12C |r,c:21| Show InChI InChI=1S/C22H30O3/c1-4-5-13-12-14-15-6-7-18(24)21(15,2)10-8-16(14)22(3)11-9-17(23)20(25)19(13)22/h4,13-16,25H,1,5-12H2,2-3H3/t13-,14-,15-,16-,21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	520	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 [1beta3H]-androstenedione as substrate measured after 15 mins in presence of NADPH by liquid ...				J Med Chem 62: 3636-3657 (2019) Article DOI: 10.1021/acs.jmedchem.9b00157 BindingDB Entry DOI: 10.7270/Q2N301CW
					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))	BDBM50523398 (CHEMBL4564333) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)[C@@]2([H])C=CCC[C@]12C |r,c:21| Show InChI InChI=1S/C20H30O/c1-13-12-14-16-7-8-18(21)20(16,3)11-9-17(14)19(2)10-5-4-6-15(13)19/h4,6,13-17H,5,7-12H2,1-3H3/t13-,14-,15+,16-,17-,19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	560	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 [1beta3H]-androstenedione as substrate measured after 15 mins in presence of NADPH by liquid ...				J Med Chem 62: 3636-3657 (2019) Article DOI: 10.1021/acs.jmedchem.9b00157 BindingDB Entry DOI: 10.7270/Q2N301CW
					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))	BDBM50523401 (CHEMBL4515880) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](O)C2=CC(=O)CC[C@]12C |r,t:19| Show InChI InChI=1S/C19H26O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16,21H,3-8,10H2,1-2H3/t12-,13-,14-,16+,18+,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	840	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 [1beta3H]-androstenedione as substrate measured after 15 mins in presence of NADPH by liquid ...				J Med Chem 62: 3636-3657 (2019) Article DOI: 10.1021/acs.jmedchem.9b00157 BindingDB Entry DOI: 10.7270/Q2N301CW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50523405 (CHEMBL4520027) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](O)C2=CC(=O)CC[C@]12C |r,t:19| Show InChI InChI=1S/C19H26O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16,21H,3-8,10H2,1-2H3/t12-,13-,14-,16-,18+,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	880	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 [1beta3H]-androstenedione as substrate measured after 15 mins in presence of NADPH by liquid ...				J Med Chem 62: 3636-3657 (2019) Article DOI: 10.1021/acs.jmedchem.9b00157 BindingDB Entry DOI: 10.7270/Q2N301CW
					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))	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))	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