Compile Data Set for Download or QSAR

Found 454 hits with Last Name = 'numa' and Initial = 'm'   

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))	BDBM50041376 ((R)-6-Ethyl-10,13-dimethyl-1,6,7,8,9,10,11,12,13,1...) Show SMILES CC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:23| Show InChI InChI=1S/C21H30O2/c1-4-13-11-15-16-5-6-19(23)21(16,3)10-8-17(15)20(2)9-7-14(22)12-18(13)20/h12-13,15-17H,4-11H2,1-3H3/t13-,15?,16?,17?,20?,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome Cytochrome P450 19A1				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair				3D Structure (docked)
Aromatase (Homo sapiens (Human))	BDBM9955 ((8S)-2,8,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{1...) Show SMILES C[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t: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/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	PC cid PC sid UniChem Similars	Article PubMed	3.10	-50.5	37	n/a	n/a	n/a	n/a	7.5	37
Tohoku College of Pharmacy					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 39: 2245-52 (1996) Article DOI: 10.1021/jm960047o BindingDB Entry DOI: 10.7270/Q2X34VPV
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9989 ((2S,6S,15S)-6-hydroxy-2-(hydroxymethyl)-15-methylt...) Show SMILES C[C@]12CCC3C(CC=C4[C@@H](O)CCC[C@]34CO)C1CCC2=O |r,t:7| Show InChI InChI=1S/C19H28O3/c1-18-10-8-14-12(13(18)6-7-17(18)22)4-5-15-16(21)3-2-9-19(14,15)11-20/h5,12-14,16,20-21H,2-4,6-11H2,1H3/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 Similars	Article PubMed	3.40	-50.3	31	n/a	n/a	n/a	n/a	7.5	37
Tohoku Pharmaceutical University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 44: 4277-83 (2001) Article DOI: 10.1021/jm010282t BindingDB Entry DOI: 10.7270/Q2SB43ZH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50041369 ((R)-10,13-Dimethyl-6-propyl-1,6,7,8,9,10,11,12,13,...) Show SMILES CCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:24| Show InChI InChI=1S/C22H32O2/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/h13-14,16-18H,4-12H2,1-3H3/t14-,16?,17?,18?,21?,22?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome Cytochrome P450 19A1				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair				3D Structure (docked)
Aromatase (Homo sapiens (Human))	BDBM9948 ((8R)-8-ethyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}...) Show SMILES CC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:19,t:23| Show InChI InChI=1S/C21H28O2/c1-4-13-11-15-16-5-6-19(23)21(16,3)10-8-17(15)20(2)9-7-14(22)12-18(13)20/h7,9,12-13,15-17H,4-6,8,10-11H2,1-3H3/t13-,15?,16?,17?,20?,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.70	-49.4	54	n/a	n/a	n/a	n/a	7.5	37
Tohoku College of Pharmacy					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 39: 1033-8 (1996) Article DOI: 10.1021/jm950720u BindingDB Entry DOI: 10.7270/Q21V5C6P
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50041361 ((S)-6-Ethyl-10,13-dimethyl-1,6,7,8,9,10,11,12,13,1...) Show SMILES CC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:23| Show InChI InChI=1S/C21H30O2/c1-4-13-11-15-16-5-6-19(23)21(16,3)10-8-17(15)20(2)9-7-14(22)12-18(13)20/h12-13,15-17H,4-11H2,1-3H3/t13-,15?,16?,17?,20?,21?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome Cytochrome P450 19A1				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9951 ((8R)-2,15-dimethyl-8-pentyltetracyclo[8.7.0.0^{2,7...) Show SMILES CCCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:22,t:26| Show InChI InChI=1S/C24H34O2/c1-4-5-6-7-16-14-18-19-8-9-22(26)24(19,3)13-11-20(18)23(2)12-10-17(25)15-21(16)23/h10,12,15-16,18-20H,4-9,11,13-14H2,1-3H3/t16-,18?,19?,20?,23?,24?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5	-49.3	54	n/a	n/a	n/a	n/a	7.5	37
Tohoku College of Pharmacy					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 39: 1033-8 (1996) Article DOI: 10.1021/jm950720u BindingDB Entry DOI: 10.7270/Q21V5C6P
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50041371 ((S)-10,13-Dimethyl-6-vinyl-1,6,7,8,9,10,11,12,13,1...) Show SMILES CC12CCC3C(C[C@@H](C=C)C4=CC(=O)CCC34C)C1CCC2=O |t:10| Show InChI InChI=1S/C21H28O2/c1-4-13-11-15-16-5-6-19(23)21(16,3)10-8-17(15)20(2)9-7-14(22)12-18(13)20/h4,12-13,15-17H,1,5-11H2,2-3H3/t13-,15?,16?,17?,20?,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome aromatase Cytochrome P450 19A1				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9960 ((8R)-2,8,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{1...) Show SMILES C[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t: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/h6,13-14,16-17H,4-5,7-12H2,1-3H3/t13-,14?,16?,17?,19?,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.30	-49.1	49	n/a	n/a	n/a	n/a	7.5	37
Tohoku College of Pharmacy					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 39: 2245-52 (1996) Article DOI: 10.1021/jm960047o BindingDB Entry DOI: 10.7270/Q2X34VPV
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50041362 ((S)-6,10,13-Trimethyl-1,6,7,8,9,10,11,12,13,14,15,...) Show SMILES C[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:22| 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	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome Cytochrome P450 19A1				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair				3D Structure (docked)
Aromatase (Homo sapiens (Human))	BDBM9997 ((2S,15S)-2-(hydroxymethyl)-15-methyltetracyclo[8.7...) Show SMILES C[C@]12CCC3C(CCC4=CCCC[C@]34CO)C1CCC2=O |r,t:8| Show InChI InChI=1S/C19H28O2/c1-18-11-9-16-14(15(18)7-8-17(18)21)6-5-13-4-2-3-10-19(13,16)12-20/h4,14-16,20H,2-3,5-12H2,1H3/t14?,15?,16?,18-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.80	-48.9	49	n/a	n/a	n/a	n/a	7.5	37
Tohoku Pharmaceutical University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 44: 4277-83 (2001) Article DOI: 10.1021/jm010282t BindingDB Entry DOI: 10.7270/Q2SB43ZH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9994 ((2R,8R,15S)-8-hydroxy-2,15-dimethyltetracyclo[8.7....) Show SMILES C[C@]12CCC3C(C[C@@H](O)C4=CCCC[C@]34C)C1CCC2=O |r,t:9| Show InChI InChI=1S/C19H28O2/c1-18-9-4-3-5-15(18)16(20)11-12-13-6-7-17(21)19(13,2)10-8-14(12)18/h5,12-14,16,20H,3-4,6-11H2,1-2H3/t12?,13?,14?,16-,18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	-48.8	50	n/a	n/a	n/a	n/a	7.5	37
Tohoku Pharmaceutical University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 44: 4277-83 (2001) Article DOI: 10.1021/jm010282t BindingDB Entry DOI: 10.7270/Q2SB43ZH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9968 ((8R)-8-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,...) Show SMILES CC12CCC3C(C[C@@H](O)C4=CCCCC34C)C1CCC2=O |r,t:9| Show InChI InChI=1S/C19H28O2/c1-18-9-4-3-5-15(18)16(20)11-12-13-6-7-17(21)19(13,2)10-8-14(12)18/h5,12-14,16,20H,3-4,6-11H2,1-2H3/t12?,13?,14?,16-,18?,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	-48.8	50	n/a	n/a	n/a	n/a	7.5	37
Tohoku College of Pharmacy					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 39: 2245-52 (1996) Article DOI: 10.1021/jm960047o BindingDB Entry DOI: 10.7270/Q2X34VPV
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50041366 ((S)-10,13-Dimethyl-6-propyl-1,6,7,8,9,10,11,12,13,...) Show SMILES CCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:24| Show InChI InChI=1S/C22H32O2/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/h13-14,16-18H,4-12H2,1-3H3/t14-,16?,17?,18?,21?,22?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome aromatase Cytochrome P450 19A1				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9996 ((2R,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{...) Show SMILES C[C@]12CCC3C(CCC4=CCCC[C@]34C)C1CCC2=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	6.80	-48.5	60	n/a	n/a	n/a	n/a	7.5	37
Tohoku Pharmaceutical University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 44: 4277-83 (2001) Article DOI: 10.1021/jm010282t BindingDB Entry DOI: 10.7270/Q2SB43ZH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9981 (2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]he...) Show SMILES CC12CCC3C(CCC4=CCCCC34C)C1CCC2=O |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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 39: 2245-52 (1996) Article DOI: 10.1021/jm960047o BindingDB Entry DOI: 10.7270/Q2X34VPV
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9949 ((8R)-2,15-dimethyl-8-propyltetracyclo[8.7.0.0^{2,7...) Show SMILES CCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:20,t:24| 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/h8,10,13-14,16-18H,4-7,9,11-12H2,1-3H3/t14-,16?,17?,18?,21?,22?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7	-48.4	60	n/a	n/a	n/a	n/a	7.5	37
Tohoku College of Pharmacy					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 39: 1033-8 (1996) Article DOI: 10.1021/jm950720u BindingDB Entry DOI: 10.7270/Q21V5C6P
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9953 ((8R)-8-heptyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7...) Show SMILES CCCCCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:24,t:28| Show InChI InChI=1S/C26H38O2/c1-4-5-6-7-8-9-18-16-20-21-10-11-24(28)26(21,3)15-13-22(20)25(2)14-12-19(27)17-23(18)25/h12,14,17-18,20-22H,4-11,13,15-16H2,1-3H3/t18-,20?,21?,22?,25?,26?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.80	-48.1	60	n/a	n/a	n/a	n/a	7.5	37
Tohoku College of Pharmacy					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 39: 1033-8 (1996) Article DOI: 10.1021/jm950720u BindingDB Entry DOI: 10.7270/Q21V5C6P
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9952 ((8R)-8-hexyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}...) Show SMILES CCCCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:23,t:27| Show InChI InChI=1S/C25H36O2/c1-4-5-6-7-8-17-15-19-20-9-10-23(27)25(20,3)14-12-21(19)24(2)13-11-18(26)16-22(17)24/h11,13,16-17,19-21H,4-10,12,14-15H2,1-3H3/t17-,19?,20?,21?,24?,25?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8	-48.1	76	n/a	n/a	n/a	n/a	7.5	37
Tohoku College of Pharmacy					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 39: 1033-8 (1996) Article DOI: 10.1021/jm950720u BindingDB Entry DOI: 10.7270/Q21V5C6P
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50041365 ((R)-6-Butyl-10,13-dimethyl-1,6,7,8,9,10,11,12,13,1...) Show SMILES CCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:25| Show InChI InChI=1S/C23H34O2/c1-4-5-6-15-13-17-18-7-8-21(25)23(18,3)12-10-19(17)22(2)11-9-16(24)14-20(15)22/h14-15,17-19H,4-13H2,1-3H3/t15-,17?,18?,19?,22?,23?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome Cytochrome P450 19A1				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair				3D Structure (docked)
Aromatase (Homo sapiens (Human))	BDBM50041367 ((R)-6-Benzyl-10,13-dimethyl-1,6,7,8,9,10,11,12,13,...) Show SMILES CC12CCC3C(C[C@H](Cc4ccccc4)C4=CC(=O)CCC34C)C1CCC2=O |t:16| Show InChI InChI=1S/C26H32O2/c1-25-12-10-19(27)16-23(25)18(14-17-6-4-3-5-7-17)15-20-21-8-9-24(28)26(21,2)13-11-22(20)25/h3-7,16,18,20-22H,8-15H2,1-2H3/t18-,20?,21?,22?,25?,26?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome aromatase Cytochrome P450 19A1				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50500457 (CHEMBL3746815) Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NCc1cccc(Br)c1 Show InChI InChI=1S/C21H15BrN2O4/c1-11-7-18(25)28-19-14(11)5-6-17-15(19)9-16(20(23)27-17)21(26)24-10-12-3-2-4-13(22)8-12/h2-9,23H,10H2,1H3,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Mixed-type inhibition of electric eel AChE using acetylthiocholine iodide as substrate assessed as free enzyme preincubated for 5 mins followed by su...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9944 ((8S)-2,15-dimethyl-8-pentyltetracyclo[8.7.0.0^{2,7...) Show SMILES CCCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:22,t:26| Show InChI InChI=1S/C24H34O2/c1-4-5-6-7-16-14-18-19-8-9-22(26)24(19,3)13-11-20(18)23(2)12-10-17(25)15-21(16)23/h10,12,15-16,18-20H,4-9,11,13-14H2,1-3H3/t16-,18?,19?,20?,23?,24?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11	-47.3	140	n/a	n/a	n/a	n/a	7.5	37
Tohoku College of Pharmacy					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 39: 1033-8 (1996) Article DOI: 10.1021/jm950720u BindingDB Entry DOI: 10.7270/Q21V5C6P
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50041375 ((R)-6,10,13-Trimethyl-1,6,7,8,9,10,11,12,13,14,15,...) Show SMILES C[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:22| 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?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome Cytochrome P450 19A1				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair				3D Structure (docked)
Aromatase (Homo sapiens (Human))	BDBM9967 ((8S)-8-methoxy-2,15-dimethyltetracyclo[8.7.0.0^{2,...) Show SMILES CO[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:22| Show InChI InChI=1S/C20H30O2/c1-19-10-5-4-6-16(19)17(22-3)12-13-14-7-8-18(21)20(14,2)11-9-15(13)19/h6,13-15,17H,4-5,7-12H2,1-3H3/t13?,14?,15?,17-,19?,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12	-47.0	120	n/a	n/a	n/a	n/a	7.5	37
Tohoku College of Pharmacy					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 39: 2245-52 (1996) Article DOI: 10.1021/jm960047o BindingDB Entry DOI: 10.7270/Q2X34VPV
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9970 ((8R)-8-methoxy-2,15-dimethyltetracyclo[8.7.0.0^{2,...) Show SMILES CO[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:22| Show InChI InChI=1S/C20H30O2/c1-19-10-5-4-6-16(19)17(22-3)12-13-14-7-8-18(21)20(14,2)11-9-15(13)19/h6,13-15,17H,4-5,7-12H2,1-3H3/t13?,14?,15?,17-,19?,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 39: 2245-52 (1996) Article DOI: 10.1021/jm960047o BindingDB Entry DOI: 10.7270/Q2X34VPV
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50041372 ((S)-6-Butyl-10,13-dimethyl-1,6,7,8,9,10,11,12,13,1...) Show SMILES CCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:25| Show InChI InChI=1S/C23H34O2/c1-4-5-6-15-13-17-18-7-8-21(25)23(18,3)12-10-19(17)22(2)11-9-16(24)14-20(15)22/h14-15,17-19H,4-13H2,1-3H3/t15-,17?,18?,19?,22?,23?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome aromatase Cytochrome P450 19A1				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					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	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description The binding affinity was determined on Cytochrome P450 19A1 by analysis of Dixon plot				J Med Chem 37: 2198-205 (1994) BindingDB Entry DOI: 10.7270/Q22F7MG3
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50332808 ((8R,9S,10S,13S,14S)-10-(hydroxymethyl)-13-methyl-2...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@]34CO)[C@@H]1CCC2=O |r,t:8| Show InChI InChI=1S/C19H28O2/c1-18-11-9-16-14(15(18)7-8-17(18)21)6-5-13-4-2-3-10-19(13,16)12-20/h4,14-16,20H,2-3,5-12H2,1H3/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	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of 1 uM [1-beta-3H]-androstenedione binding to human placental microsome Cytochrome P450 19A1				J Med Chem 34: 2496-504 (1991) BindingDB Entry DOI: 10.7270/Q2MG7Q45
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9956 ((8S)-8-ethyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}...) Show SMILES CC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:22| Show InChI InChI=1S/C21H32O/c1-4-14-13-15-17-8-9-19(22)21(17,3)12-10-18(15)20(2)11-6-5-7-16(14)20/h7,14-15,17-18H,4-6,8-13H2,1-3H3/t14-,15?,17?,18?,20?,21?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	14	-46.6	110	n/a	n/a	n/a	n/a	7.5	37
Tohoku College of Pharmacy					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 39: 2245-52 (1996) Article DOI: 10.1021/jm960047o BindingDB Entry DOI: 10.7270/Q2X34VPV
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9950 ((8R)-8-butyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}...) Show SMILES CCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:21,t:25| Show InChI InChI=1S/C23H32O2/c1-4-5-6-15-13-17-18-7-8-21(25)23(18,3)12-10-19(17)22(2)11-9-16(24)14-20(15)22/h9,11,14-15,17-19H,4-8,10,12-13H2,1-3H3/t15-,17?,18?,19?,22?,23?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	14	-46.6	180	n/a	n/a	n/a	n/a	7.5	37
Tohoku College of Pharmacy					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 39: 1033-8 (1996) Article DOI: 10.1021/jm950720u BindingDB Entry DOI: 10.7270/Q21V5C6P
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50394657 (CHEMBL270067) Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C Show InChI InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17+,18+,19-,20+,21+,23+,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of reductase activity of N-terminal 6His-tagged human AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as pyridine-3-aldehyde redu...				J Nat Prod 74: 1201-6 (2011) Article DOI: 10.1021/np200118q BindingDB Entry DOI: 10.7270/Q25D8SXZ
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9943 ((8S)-8-butyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}...) Show SMILES CCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:21,t:25| Show InChI InChI=1S/C23H32O2/c1-4-5-6-15-13-17-18-7-8-21(25)23(18,3)12-10-19(17)22(2)11-9-16(24)14-20(15)22/h9,11,14-15,17-19H,4-8,10,12-13H2,1-3H3/t15-,17?,18?,19?,22?,23?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	16	-46.3	200	n/a	n/a	n/a	n/a	7.5	37
Tohoku College of Pharmacy					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 39: 1033-8 (1996) Article DOI: 10.1021/jm950720u BindingDB Entry DOI: 10.7270/Q21V5C6P
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9966 ((8S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0^{2,7}....) Show SMILES CC(=O)O[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:24| Show InChI InChI=1S/C21H30O3/c1-13(22)24-18-12-14-15-7-8-19(23)21(15,3)11-9-16(14)20(2)10-5-4-6-17(18)20/h6,14-16,18H,4-5,7-12H2,1-3H3/t14?,15?,16?,18-,20?,21?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	18	-46.0	160	n/a	n/a	n/a	n/a	7.5	37
Tohoku College of Pharmacy					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 39: 2245-52 (1996) Article DOI: 10.1021/jm960047o BindingDB Entry DOI: 10.7270/Q2X34VPV
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9941 ((8S)-8-ethyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}...) Show SMILES CC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:19,t:23| Show InChI InChI=1S/C21H28O2/c1-4-13-11-15-16-5-6-19(23)21(16,3)10-8-17(15)20(2)9-7-14(22)12-18(13)20/h7,9,12-13,15-17H,4-6,8,10-11H2,1-3H3/t13-,15?,16?,17?,20?,21?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	19	-45.8	250	n/a	n/a	n/a	n/a	7.5	37
Tohoku College of Pharmacy					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 39: 1033-8 (1996) Article DOI: 10.1021/jm950720u BindingDB Entry DOI: 10.7270/Q21V5C6P
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50500457 (CHEMBL3746815) Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NCc1cccc(Br)c1 Show InChI InChI=1S/C21H15BrN2O4/c1-11-7-18(25)28-19-14(11)5-6-17-15(19)9-16(20(23)27-17)21(26)24-10-12-3-2-4-13(22)8-12/h2-9,23H,10H2,1H3,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Mixed-type inhibition of electric eel AChE using acetylthiocholine iodide as substrate assessed as enzyme-substrate complex preincubated for 5 mins f...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9946 ((8S)-8-heptyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7...) Show SMILES CCCCCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:24,t:28| Show InChI InChI=1S/C26H38O2/c1-4-5-6-7-8-9-18-16-20-21-10-11-24(28)26(21,3)15-13-22(20)25(2)14-12-19(27)17-23(18)25/h12,14,17-18,20-22H,4-11,13,15-16H2,1-3H3/t18-,20?,21?,22?,25?,26?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20	-45.7	250	n/a	n/a	n/a	n/a	7.5	37
Tohoku College of Pharmacy					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 39: 1033-8 (1996) Article DOI: 10.1021/jm950720u BindingDB Entry DOI: 10.7270/Q21V5C6P
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM8592 ((2R,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{...) Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2=O |r,t:8| Show InChI InChI=1S/C19H26O2/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/h11,14-16H,3-10H2,1-2H3/t14?,15?,16?,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	20	-45.7	300	n/a	n/a	n/a	n/a	7.5	37
Tohoku College of Pharmacy					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 39: 1033-8 (1996) Article DOI: 10.1021/jm950720u BindingDB Entry DOI: 10.7270/Q21V5C6P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aromatase (Homo sapiens (Human))	BDBM50025428 (10,13-Dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dode...) Show SMILES CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2=O |t:8| Show InChI InChI=1S/C19H26O2/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/h11,14-16H,3-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for aromatase cytochrome P45019A1 by analysis of Dixon plot				J Med Chem 37: 2198-205 (1994) BindingDB Entry DOI: 10.7270/Q22F7MG3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aromatase (Homo sapiens (Human))	BDBM9965 ((8S)-8-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,...) Show SMILES CC12CCC3C(C[C@H](O)C4=CCCCC34C)C1CCC2=O |r,t:9| Show InChI InChI=1S/C19H28O2/c1-18-9-4-3-5-15(18)16(20)11-12-13-6-7-17(21)19(13,2)10-8-14(12)18/h5,12-14,16,20H,3-4,6-11H2,1-2H3/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 Similars	Article PubMed	21	-45.6	190	n/a	n/a	n/a	n/a	7.5	37
Tohoku College of Pharmacy					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 39: 2245-52 (1996) Article DOI: 10.1021/jm960047o BindingDB Entry DOI: 10.7270/Q2X34VPV
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9992 ((2R,8S,15S)-8-hydroxy-2,15-dimethyltetracyclo[8.7....) Show SMILES C[C@]12CCC3C(C[C@H](O)C4=CCCC[C@]34C)C1CCC2=O |r,t:9| Show InChI InChI=1S/C19H28O2/c1-18-9-4-3-5-15(18)16(20)11-12-13-6-7-17(21)19(13,2)10-8-14(12)18/h5,12-14,16,20H,3-4,6-11H2,1-2H3/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 Similars	Article PubMed	21	-45.6	190	n/a	n/a	n/a	n/a	7.5	37
Tohoku Pharmaceutical University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 44: 4277-83 (2001) Article DOI: 10.1021/jm010282t BindingDB Entry DOI: 10.7270/Q2SB43ZH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50041370 ((R)-10,13-Dimethyl-6-phenyl-1,6,7,8,9,10,11,12,13,...) Show SMILES CC12CCC3C(C[C@@H](C4=CC(=O)CCC34C)c3ccccc3)C1CCC2=O |t:8| Show InChI InChI=1S/C25H30O2/c1-24-12-10-17(26)14-22(24)18(16-6-4-3-5-7-16)15-19-20-8-9-23(27)25(20,2)13-11-21(19)24/h3-7,14,18-21H,8-13,15H2,1-2H3/t18-,19?,20?,21?,24?,25?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome aromatase Cytochrome P450 19A1				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9942 ((8S)-2,15-dimethyl-8-propyltetracyclo[8.7.0.0^{2,7...) Show SMILES CCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:20,t:24| 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/h8,10,13-14,16-18H,4-7,9,11-12H2,1-3H3/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 Similars	Article PubMed	22	-45.5	270	n/a	n/a	n/a	n/a	7.5	37
Tohoku College of Pharmacy					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 39: 1033-8 (1996) Article DOI: 10.1021/jm950720u BindingDB Entry DOI: 10.7270/Q21V5C6P
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50041364 ((S)-6-Isopropyl-10,13-dimethyl-1,6,7,8,9,10,11,12,...) Show SMILES CC(C)[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:24| Show InChI InChI=1S/C22H32O2/c1-13(2)15-12-16-17-5-6-20(24)22(17,4)10-8-18(16)21(3)9-7-14(23)11-19(15)21/h11,13,15-18H,5-10,12H2,1-4H3/t15-,16?,17?,18?,21?,22?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome aromatase Cytochrome P450 19A1				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair				3D Structure (docked)
Aromatase (Homo sapiens (Human))	BDBM9969 ((8R)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0^{2,7}....) Show SMILES CC(=O)O[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:24| Show InChI InChI=1S/C21H30O3/c1-13(22)24-18-12-14-15-7-8-19(23)21(15,3)11-9-16(14)20(2)10-5-4-6-17(18)20/h6,14-16,18H,4-5,7-12H2,1-3H3/t14?,15?,16?,18-,20?,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	24	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 39: 2245-52 (1996) Article DOI: 10.1021/jm960047o BindingDB Entry DOI: 10.7270/Q2X34VPV
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9987 ((2R,6S,15S)-6-hydroxy-2,15-dimethyltetracyclo[8.7....) Show SMILES C[C@]12CCC3C(CC=C4[C@@H](O)CCC[C@]34C)C1CCC2=O |r,t:7| Show InChI InChI=1S/C19H28O2/c1-18-10-3-4-16(20)15(18)6-5-12-13-7-8-17(21)19(13,2)11-9-14(12)18/h6,12-14,16,20H,3-5,7-11H2,1-2H3/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 Similars	Article PubMed	25	-45.1	280	n/a	n/a	n/a	n/a	7.5	37
Tohoku Pharmaceutical University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 44: 4277-83 (2001) Article DOI: 10.1021/jm010282t BindingDB Entry DOI: 10.7270/Q2SB43ZH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9945 ((8S)-8-hexyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}...) Show SMILES CCCCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:23,t:27| Show InChI InChI=1S/C25H36O2/c1-4-5-6-7-8-17-15-19-20-9-10-23(27)25(20,3)14-12-21(19)24(2)13-11-18(26)16-22(17)24/h11,13,16-17,19-21H,4-10,12,14-15H2,1-3H3/t17-,19?,20?,21?,24?,25?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	25	-45.1	280	n/a	n/a	n/a	n/a	7.5	37
Tohoku College of Pharmacy					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 39: 1033-8 (1996) Article DOI: 10.1021/jm950720u BindingDB Entry DOI: 10.7270/Q21V5C6P
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50008057 (BMS-722782 | CHEBI:64153 | TANESPIMYCIN) Show SMILES CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,23,t:15,21,34| Show InChI InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of FITC-GA binding to Hsp90alpha (unknown origin) ATPase site after 2 hrs by fluorescence polarization assay				Bioorg Med Chem Lett 25: 1338-42 (2015) Article DOI: 10.1016/j.bmcl.2015.01.023 BindingDB Entry DOI: 10.7270/Q27M09MS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9957 ((8S)-2,15-dimethyl-8-propyltetracyclo[8.7.0.0^{2,7...) Show SMILES CCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:23| Show InChI InChI=1S/C22H34O/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/h8,15-16,18-19H,4-7,9-14H2,1-3H3/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 Similars	Article PubMed	30	-44.7	230	n/a	n/a	n/a	n/a	7.5	37
Tohoku College of Pharmacy					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 39: 2245-52 (1996) Article DOI: 10.1021/jm960047o BindingDB Entry DOI: 10.7270/Q2X34VPV
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50041363 ((R)-6-Isopropyl-10,13-dimethyl-1,6,7,8,9,10,11,12,...) Show SMILES CC(C)[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:24| Show InChI InChI=1S/C22H32O2/c1-13(2)15-12-16-17-5-6-20(24)22(17,4)10-8-18(16)21(3)9-7-14(23)11-19(15)21/h11,13,15-18H,5-10,12H2,1-4H3/t15-,16?,17?,18?,21?,22?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome aromatase Cytochrome P450 19A1				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair				3D Structure (docked)

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