Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for entry = 1203   

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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	BDBM9961 ((8R)-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?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	43	-43.7	320	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))	BDBM9982 ((14S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,...) Show SMILES CC12CCC3C(CCC4=CCCCC34C)C1CC[C@@H]2O |r,t:8| Show InChI InChI=1S/C19H30O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h5,14-17,20H,3-4,6-12H2,1-2H3/t14?,15?,16?,17-,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	45	n/a	360	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))	BDBM9962 ((8R)-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?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	51	-43.3	440	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))	BDBM9976 ((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/C20H32O/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/h6,13-14,16-18,21H,4-5,7-12H2,1-3H3/t13-,14?,16?,17?,18?,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	140	n/a	1.60E+3	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))	BDBM9972 ((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/C21H34O/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/h7,14-15,17-19,22H,4-6,8-13H2,1-3H3/t14-,15?,17?,18?,19?,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	180	n/a	1.30E+3	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))	BDBM9977 ((8R)-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/C21H34O/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/h7,14-15,17-19,22H,4-6,8-13H2,1-3H3/t14-,15?,17?,18?,19?,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	340	n/a	3.30E+3	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))	BDBM9971 ((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/C20H32O/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/h6,13-14,16-18,21H,4-5,7-12H2,1-3H3/t13-,14?,16?,17?,18?,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	380	n/a	3.70E+3	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))	BDBM9958 ((8S)-2,15-dimethyl-8-pentyltetracyclo[8.7.0.0^{2,7...) Show SMILES CCCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:25| Show InChI InChI=1S/C24H38O/c1-4-5-6-9-17-16-18-20-11-12-22(25)24(20,3)15-13-21(18)23(2)14-8-7-10-19(17)23/h10,17-18,20-21H,4-9,11-16H2,1-3H3/t17-,18?,20?,21?,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	400	-38.0	9.00E+3	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))	BDBM9963 ((8R)-2,15-dimethyl-8-pentyltetracyclo[8.7.0.0^{2,7...) Show SMILES CCCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:25| Show InChI InChI=1S/C24H38O/c1-4-5-6-9-17-16-18-20-11-12-22(25)24(20,3)15-13-21(18)23(2)14-8-7-10-19(17)23/h10,17-18,20-21H,4-9,11-16H2,1-3H3/t17-,18?,20?,21?,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	1.20E+3	-35.2	1.20E+4	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))	BDBM9964 ((8R)-2,15-dimethyl-8-octyltetracyclo[8.7.0.0^{2,7}...) Show SMILES CCCCCCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:28| Show InChI InChI=1S/C27H44O/c1-4-5-6-7-8-9-12-20-19-21-23-14-15-25(28)27(23,3)18-16-24(21)26(2)17-11-10-13-22(20)26/h13,20-21,23-24H,4-12,14-19H2,1-3H3/t20-,21?,23?,24?,26?,27?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.60E+3	-33.2	>5.00E+4	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))	BDBM9973 ((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/C22H36O/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/h8,15-16,18-20,23H,4-7,9-14H2,1-3H3/t15-,16?,18?,19?,20?,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	2.90E+3	n/a	1.40E+4	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))	BDBM9959 ((8S)-2,15-dimethyl-8-octyltetracyclo[8.7.0.0^{2,7}...) Show SMILES CCCCCCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:28| Show InChI InChI=1S/C27H44O/c1-4-5-6-7-8-9-12-20-19-21-23-14-15-25(28)27(23,3)18-16-24(21)26(2)17-11-10-13-22(20)26/h13,20-21,23-24H,4-12,14-19H2,1-3H3/t20-,21?,23?,24?,26?,27?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.10E+3	-32.0	>5.00E+4	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))	BDBM9978 ((8R)-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/C22H36O/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/h8,15-16,18-20,23H,4-7,9-14H2,1-3H3/t15-,16?,18?,19?,20?,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	5.50E+3	n/a	4.30E+4	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))	BDBM9974 ((8S)-2,15-dimethyl-8-pentyltetracyclo[8.7.0.0^{2,7...) Show SMILES CCCCC[C@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:25| Show InChI InChI=1S/C24H40O/c1-4-5-6-9-17-16-18-20-11-12-22(25)24(20,3)15-13-21(18)23(2)14-8-7-10-19(17)23/h10,17-18,20-22,25H,4-9,11-16H2,1-3H3/t17-,18?,20?,21?,22?,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	4.40E+4	n/a	>5.00E+4	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))	BDBM9979 ((8R)-2,15-dimethyl-8-pentyltetracyclo[8.7.0.0^{2,7...) Show SMILES CCCCC[C@@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:25| Show InChI InChI=1S/C24H40O/c1-4-5-6-9-17-16-18-20-11-12-22(25)24(20,3)15-13-21(18)23(2)14-8-7-10-19(17)23/h10,17-18,20-22,25H,4-9,11-16H2,1-3H3/t17-,18?,20?,21?,22?,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	1.00E+5	n/a	>5.00E+4	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))	BDBM9980 ((8R)-2,15-dimethyl-8-octyltetracyclo[8.7.0.0^{2,7}...) Show SMILES CCCCCCCC[C@@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:28| Show InChI InChI=1S/C27H46O/c1-4-5-6-7-8-9-12-20-19-21-23-14-15-25(28)27(23,3)18-16-24(21)26(2)17-11-10-13-22(20)26/h13,20-21,23-25,28H,4-12,14-19H2,1-3H3/t20-,21?,23?,24?,25?,26?,27?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	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))	BDBM9975 ((8S)-2,15-dimethyl-8-octyltetracyclo[8.7.0.0^{2,7}...) Show SMILES CCCCCCCC[C@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:28| Show InChI InChI=1S/C27H46O/c1-4-5-6-7-8-9-12-20-19-21-23-14-15-25(28)27(23,3)18-16-24(21)26(2)17-11-10-13-22(20)26/h13,20-21,23-25,28H,4-12,14-19H2,1-3H3/t20-,21?,23?,24?,25?,26?,27?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	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