Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 1208   

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))	BDBM10024 (5-(1H-imidazol-1-ylmethyl)-5,6,7,8-tetrahydroquino...) Show SMILES C(C1CCCc2ncccc12)n1ccnc1 Show InChI InChI=1S/C13H15N3/c1-3-11(9-16-8-7-14-10-16)12-4-2-6-15-13(12)5-1/h2,4,6-8,10-11H,1,3,5,9H2	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	160	n/a	n/a	n/a	n/a	7.4	30
Universitat des Saarlandes					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10025 (5-(1H-imidazol-1-ylmethyl)-7,8-dihydroquinoline | ...) Show SMILES C(C1=CCCc2ncccc12)n1ccnc1 |t:1| Show InChI InChI=1S/C13H13N3/c1-3-11(9-16-8-7-14-10-16)12-4-2-6-15-13(12)5-1/h2-4,6-8,10H,1,5,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	7.4	30
Universitat des Saarlandes					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10031 (5-[3-(1H-imidazol-1-yl)propyl]-7,8-dihydroquinolin...) Show SMILES C(CC1=CCCc2ncccc12)Cn1ccnc1 |t:2| Show InChI InChI=1S/C15H17N3/c1-4-13(5-3-10-18-11-9-16-12-18)14-6-2-8-17-15(14)7-1/h2,4,6,8-9,11-12H,1,3,5,7,10H2	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	220	n/a	n/a	n/a	n/a	7.4	30
Universitat des Saarlandes					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM10027 (5-[2-(1H-imidazol-1-yl)ethyl]-7,8-dihydroquinoline...) Show SMILES C(Cn1ccnc1)C1=CCCc2ncccc12 |t:8| Show InChI InChI=1S/C14H15N3/c1-3-12(6-9-17-10-8-15-11-17)13-4-2-7-16-14(13)5-1/h2-4,7-8,10-11H,1,5-6,9H2	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Universitat des Saarlandes					Assay Description Thromboxane A2 synthase activity was assayed by measuring the fragmentation of prostaglandin H2 to form 12-hydroxy-5, 8,10-heptadecatrienoic acid and...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10028 (5-[2-(1H-imidazol-1-yl)ethyl]quinoline | 5-[2-(Imi...) Show SMILES C(Cn1ccnc1)c1cccc2ncccc12 Show InChI InChI=1S/C14H13N3/c1-3-12(6-9-17-10-8-15-11-17)13-4-2-7-16-14(13)5-1/h1-5,7-8,10-11H,6,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	7.4	30
Universitat des Saarlandes					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10030 (5-[3-(1H-imidazol-1-yl)propyl]-5,6,7,8-tetrahydroq...) Show SMILES C(CC1CCCc2ncccc12)Cn1ccnc1 Show InChI InChI=1S/C15H19N3/c1-4-13(5-3-10-18-11-9-16-12-18)14-6-2-8-17-15(14)7-1/h2,6,8-9,11-13H,1,3-5,7,10H2	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	350	n/a	n/a	n/a	n/a	7.4	30
Universitat des Saarlandes					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10026 (5-[2-(1H-imidazol-1-yl)ethyl]-5,6,7,8-tetrahydroqu...) Show SMILES C(Cn1ccnc1)C1CCCc2ncccc12 Show InChI InChI=1S/C14H17N3/c1-3-12(6-9-17-10-8-15-11-17)13-4-2-7-16-14(13)5-1/h2,4,7-8,10-12H,1,3,5-6,9H2	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	380	n/a	n/a	n/a	n/a	7.4	30
Universitat des Saarlandes					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10033 (1-[2-(4,5,6,7-Tetrahydrobenzo[b]thiophen-4-yl)ethy...) Show SMILES C(Cn1ccnc1)C1CCCc2sccc12 Show InChI InChI=1S/C13H16N2S/c1-2-11(4-7-15-8-6-14-10-15)12-5-9-16-13(12)3-1/h5-6,8-11H,1-4,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	7.4	30
Universitat des Saarlandes					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10027 (5-[2-(1H-imidazol-1-yl)ethyl]-7,8-dihydroquinoline...) Show SMILES C(Cn1ccnc1)C1=CCCc2ncccc12 |t:8| Show InChI InChI=1S/C14H15N3/c1-3-12(6-9-17-10-8-15-11-17)13-4-2-7-16-14(13)5-1/h2-4,7-8,10-11H,1,5-6,9H2	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	500	n/a	n/a	n/a	n/a	7.4	30
Universitat des Saarlandes					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM10026 (5-[2-(1H-imidazol-1-yl)ethyl]-5,6,7,8-tetrahydroqu...) Show SMILES C(Cn1ccnc1)C1CCCc2ncccc12 Show InChI InChI=1S/C14H17N3/c1-3-12(6-9-17-10-8-15-11-17)13-4-2-7-16-14(13)5-1/h2,4,7-8,10-12H,1,3,5-6,9H2	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Universitat des Saarlandes					Assay Description Thromboxane A2 synthase activity was assayed by measuring the fragmentation of prostaglandin H2 to form 12-hydroxy-5, 8,10-heptadecatrienoic acid and...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10036 (1-[(2E)-2-(6,7-dihydro-1-benzothien-4(5H)-ylidene)...) Show SMILES C(\C=C1/CCCc2sccc12)n1ccnc1 Show InChI InChI=1S/C13H14N2S/c1-2-11(4-7-15-8-6-14-10-15)12-5-9-16-13(12)3-1/h4-6,8-10H,1-3,7H2/b11-4+	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	680	n/a	n/a	n/a	n/a	7.4	30
Universitat des Saarlandes					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM10031 (5-[3-(1H-imidazol-1-yl)propyl]-7,8-dihydroquinolin...) Show SMILES C(CC1=CCCc2ncccc12)Cn1ccnc1 |t:2| Show InChI InChI=1S/C15H17N3/c1-4-13(5-3-10-18-11-9-16-12-18)14-6-2-8-17-15(14)7-1/h2,4,6,8-9,11-12H,1,3,5,7,10H2	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Universitat des Saarlandes					Assay Description Thromboxane A2 synthase activity was assayed by measuring the fragmentation of prostaglandin H2 to form 12-hydroxy-5, 8,10-heptadecatrienoic acid and...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10029 (1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1H-...) Show SMILES C(Cn1ccnc1)C1CCCc2ccccc12 Show InChI InChI=1S/C15H18N2/c1-2-7-15-13(4-1)5-3-6-14(15)8-10-17-11-9-16-12-17/h1-2,4,7,9,11-12,14H,3,5-6,8,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	7.4	30
Universitat des Saarlandes					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10032 (1-[2-(4,5,6,7-Tetrahydrobenzo[b]furan-4-yl)ethyl]-...) Show SMILES C(Cn1ccnc1)C1CCCc2occc12 Show InChI InChI=1S/C13H16N2O/c1-2-11(4-7-15-8-6-14-10-15)12-5-9-16-13(12)3-1/h5-6,8-11H,1-4,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	7.4	30
Universitat des Saarlandes					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM10032 (1-[2-(4,5,6,7-Tetrahydrobenzo[b]furan-4-yl)ethyl]-...) Show SMILES C(Cn1ccnc1)C1CCCc2occc12 Show InChI InChI=1S/C13H16N2O/c1-2-11(4-7-15-8-6-14-10-15)12-5-9-16-13(12)3-1/h5-6,8-11H,1-4,7H2	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat des Saarlandes					Assay Description Thromboxane A2 synthase activity was assayed by measuring the fragmentation of prostaglandin H2 to form 12-hydroxy-5, 8,10-heptadecatrienoic acid and...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM7962 (4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...) Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1 Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat des Saarlandes					Assay Description Thromboxane A2 synthase activity was assayed by measuring the fragmentation of prostaglandin H2 to form 12-hydroxy-5, 8,10-heptadecatrienoic acid and...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM10028 (5-[2-(1H-imidazol-1-yl)ethyl]quinoline | 5-[2-(Imi...) Show SMILES C(Cn1ccnc1)c1cccc2ncccc12 Show InChI InChI=1S/C14H13N3/c1-3-12(6-9-17-10-8-15-11-17)13-4-2-7-16-14(13)5-1/h1-5,7-8,10-11H,6,9H2	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat des Saarlandes					Assay Description Thromboxane A2 synthase activity was assayed by measuring the fragmentation of prostaglandin H2 to form 12-hydroxy-5, 8,10-heptadecatrienoic acid and...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM10033 (1-[2-(4,5,6,7-Tetrahydrobenzo[b]thiophen-4-yl)ethy...) Show SMILES C(Cn1ccnc1)C1CCCc2sccc12 Show InChI InChI=1S/C13H16N2S/c1-2-11(4-7-15-8-6-14-10-15)12-5-9-16-13(12)3-1/h5-6,8-11H,1-4,7H2	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat des Saarlandes					Assay Description Thromboxane A2 synthase activity was assayed by measuring the fragmentation of prostaglandin H2 to form 12-hydroxy-5, 8,10-heptadecatrienoic acid and...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM10037 (1-[(2Z)-2-(6,7-dihydro-1-benzothien-4(5H)-ylidene)...) Show SMILES C(\C=C1\CCCc2sccc12)n1ccnc1 Show InChI InChI=1S/C13H14N2S/c1-2-11(4-7-15-8-6-14-10-15)12-5-9-16-13(12)3-1/h4-6,8-10H,1-3,7H2/b11-4-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat des Saarlandes					Assay Description Thromboxane A2 synthase activity was assayed by measuring the fragmentation of prostaglandin H2 to form 12-hydroxy-5, 8,10-heptadecatrienoic acid and...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10041 (7-(1H-imidazol-1-ylmethyl)isoquinoline | 7-[(Imida...) Show SMILES C(c1ccc2ccncc2c1)n1ccnc1 Show InChI InChI=1S/C13H11N3/c1-2-12-3-4-14-8-13(12)7-11(1)9-16-6-5-15-10-16/h1-8,10H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.38E+3	n/a	n/a	n/a	n/a	7.4	30
Universitat des Saarlandes					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM10025 (5-(1H-imidazol-1-ylmethyl)-7,8-dihydroquinoline | ...) Show SMILES C(C1=CCCc2ncccc12)n1ccnc1 |t:1| Show InChI InChI=1S/C13H13N3/c1-3-11(9-16-8-7-14-10-16)12-4-2-6-15-13(12)5-1/h2-4,6-8,10H,1,5,9H2	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat des Saarlandes					Assay Description Thromboxane A2 synthase activity was assayed by measuring the fragmentation of prostaglandin H2 to form 12-hydroxy-5, 8,10-heptadecatrienoic acid and...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM10036 (1-[(2E)-2-(6,7-dihydro-1-benzothien-4(5H)-ylidene)...) Show SMILES C(\C=C1/CCCc2sccc12)n1ccnc1 Show InChI InChI=1S/C13H14N2S/c1-2-11(4-7-15-8-6-14-10-15)12-5-9-16-13(12)3-1/h4-6,8-10H,1-3,7H2/b11-4+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat des Saarlandes					Assay Description Thromboxane A2 synthase activity was assayed by measuring the fragmentation of prostaglandin H2 to form 12-hydroxy-5, 8,10-heptadecatrienoic acid and...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM10024 (5-(1H-imidazol-1-ylmethyl)-5,6,7,8-tetrahydroquino...) Show SMILES C(C1CCCc2ncccc12)n1ccnc1 Show InChI InChI=1S/C13H15N3/c1-3-11(9-16-8-7-14-10-16)12-4-2-6-15-13(12)5-1/h2,4,6-8,10-11H,1,3,5,9H2	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat des Saarlandes					Assay Description Thromboxane A2 synthase activity was assayed by measuring the fragmentation of prostaglandin H2 to form 12-hydroxy-5, 8,10-heptadecatrienoic acid and...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM10030 (5-[3-(1H-imidazol-1-yl)propyl]-5,6,7,8-tetrahydroq...) Show SMILES C(CC1CCCc2ncccc12)Cn1ccnc1 Show InChI InChI=1S/C15H19N3/c1-4-13(5-3-10-18-11-9-16-12-18)14-6-2-8-17-15(14)7-1/h2,6,8-9,11-13H,1,3-5,7,10H2	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat des Saarlandes					Assay Description Thromboxane A2 synthase activity was assayed by measuring the fragmentation of prostaglandin H2 to form 12-hydroxy-5, 8,10-heptadecatrienoic acid and...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10034 (1-[(2E)-2-(6,7-dihydro-1-benzofuran-4(5H)-ylidene)...) Show SMILES C(\C=C1/CCCc2occc12)n1ccnc1 Show InChI InChI=1S/C13H14N2O/c1-2-11(4-7-15-8-6-14-10-15)12-5-9-16-13(12)3-1/h4-6,8-10H,1-3,7H2/b11-4+	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	2.40E+3	n/a	n/a	n/a	n/a	7.4	30
Universitat des Saarlandes					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10040 (6-(1H-imidazol-1-yl)isoquinoline | 6-(Imidazol-1-y...) Show SMILES c1cn(cn1)-c1ccc2cnccc2c1 Show InChI InChI=1S/C12H9N3/c1-2-12(15-6-5-14-9-15)7-10-3-4-13-8-11(1)10/h1-9H	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	3.06E+3	n/a	n/a	n/a	n/a	7.4	30
Universitat des Saarlandes					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM10029 (1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1H-...) Show SMILES C(Cn1ccnc1)C1CCCc2ccccc12 Show InChI InChI=1S/C15H18N2/c1-2-7-15-13(4-1)5-3-6-14(15)8-10-17-11-9-16-12-17/h1-2,4,7,9,11-12,14H,3,5-6,8,10H2	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat des Saarlandes					Assay Description Thromboxane A2 synthase activity was assayed by measuring the fragmentation of prostaglandin H2 to form 12-hydroxy-5, 8,10-heptadecatrienoic acid and...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM10034 (1-[(2E)-2-(6,7-dihydro-1-benzofuran-4(5H)-ylidene)...) Show SMILES C(\C=C1/CCCc2occc12)n1ccnc1 Show InChI InChI=1S/C13H14N2O/c1-2-11(4-7-15-8-6-14-10-15)12-5-9-16-13(12)3-1/h4-6,8-10H,1-3,7H2/b11-4+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat des Saarlandes					Assay Description Thromboxane A2 synthase activity was assayed by measuring the fragmentation of prostaglandin H2 to form 12-hydroxy-5, 8,10-heptadecatrienoic acid and...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10038 (1-[2-(1-benzothiophen-4-yl)ethyl]-1H-imidazole | 1...) Show SMILES C(Cn1ccnc1)c1cccc2sccc12 Show InChI InChI=1S/C13H12N2S/c1-2-11(4-7-15-8-6-14-10-15)12-5-9-16-13(12)3-1/h1-3,5-6,8-10H,4,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.56E+3	n/a	n/a	n/a	n/a	7.4	30
Universitat des Saarlandes					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10037 (1-[(2Z)-2-(6,7-dihydro-1-benzothien-4(5H)-ylidene)...) Show SMILES C(\C=C1\CCCc2sccc12)n1ccnc1 Show InChI InChI=1S/C13H14N2S/c1-2-11(4-7-15-8-6-14-10-15)12-5-9-16-13(12)3-1/h4-6,8-10H,1-3,7H2/b11-4-	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	3.90E+3	n/a	n/a	n/a	n/a	7.4	30
Universitat des Saarlandes					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM10035 (1-[(2Z)-2-(6,7-dihydro-1-benzofuran-4(5H)-ylidene)...) Show SMILES C(\C=C1\CCCc2occc12)n1ccnc1 Show InChI InChI=1S/C13H14N2O/c1-2-11(4-7-15-8-6-14-10-15)12-5-9-16-13(12)3-1/h4-6,8-10H,1-3,7H2/b11-4-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat des Saarlandes					Assay Description Thromboxane A2 synthase activity was assayed by measuring the fragmentation of prostaglandin H2 to form 12-hydroxy-5, 8,10-heptadecatrienoic acid and...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM10038 (1-[2-(1-benzothiophen-4-yl)ethyl]-1H-imidazole | 1...) Show SMILES C(Cn1ccnc1)c1cccc2sccc12 Show InChI InChI=1S/C13H12N2S/c1-2-11(4-7-15-8-6-14-10-15)12-5-9-16-13(12)3-1/h1-3,5-6,8-10H,4,7H2	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat des Saarlandes					Assay Description Thromboxane A2 synthase activity was assayed by measuring the fragmentation of prostaglandin H2 to form 12-hydroxy-5, 8,10-heptadecatrienoic acid and...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM10041 (7-(1H-imidazol-1-ylmethyl)isoquinoline | 7-[(Imida...) Show SMILES C(c1ccc2ccncc2c1)n1ccnc1 Show InChI InChI=1S/C13H11N3/c1-2-12-3-4-14-8-13(12)7-11(1)9-16-6-5-15-10-16/h1-8,10H,9H2	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat des Saarlandes					Assay Description Thromboxane A2 synthase activity was assayed by measuring the fragmentation of prostaglandin H2 to form 12-hydroxy-5, 8,10-heptadecatrienoic acid and...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10035 (1-[(2Z)-2-(6,7-dihydro-1-benzofuran-4(5H)-ylidene)...) Show SMILES C(\C=C1\CCCc2occc12)n1ccnc1 Show InChI InChI=1S/C13H14N2O/c1-2-11(4-7-15-8-6-14-10-15)12-5-9-16-13(12)3-1/h4-6,8-10H,1-3,7H2/b11-4-	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	6.00E+3	n/a	n/a	n/a	n/a	7.4	30
Universitat des Saarlandes					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10023 (5-(1H-imidazol-1-yl)-5,6,7,8-tetrahydroquinoline |...) Show SMILES C1CC(c2cccnc2C1)n1ccnc1 Show InChI InChI=1S/C12H13N3/c1-4-11-10(3-2-6-14-11)12(5-1)15-8-7-13-9-15/h2-3,6-9,12H,1,4-5H2	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	6.40E+3	n/a	n/a	n/a	n/a	7.4	30
Universitat des Saarlandes					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9460 (3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione | 3...) Show SMILES CCC1(CCC(=O)NC1=O)c1ccc(N)cc1 Show InChI InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1.85E+4	n/a	n/a	n/a	n/a	7.4	30
Universitat des Saarlandes					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10039 (8-(1H-imidazol-1-yl)-5,6,7,8-tetrahydroquinoline |...) Show SMILES C1CC(c2ncccc2C1)n1ccnc1 Show InChI InChI=1S/C12H13N3/c1-3-10-4-2-6-14-12(10)11(5-1)15-8-7-13-9-15/h2,4,6-9,11H,1,3,5H2	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	1.11E+5	n/a	n/a	n/a	n/a	7.4	30
Universitat des Saarlandes					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM10023 (5-(1H-imidazol-1-yl)-5,6,7,8-tetrahydroquinoline |...) Show SMILES C1CC(c2cccnc2C1)n1ccnc1 Show InChI InChI=1S/C12H13N3/c1-4-11-10(3-2-6-14-11)12(5-1)15-8-7-13-9-15/h2-3,6-9,12H,1,4-5H2	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat des Saarlandes					Assay Description Thromboxane A2 synthase activity was assayed by measuring the fragmentation of prostaglandin H2 to form 12-hydroxy-5, 8,10-heptadecatrienoic acid and...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM10039 (8-(1H-imidazol-1-yl)-5,6,7,8-tetrahydroquinoline |...) Show SMILES C1CC(c2ncccc2C1)n1ccnc1 Show InChI InChI=1S/C12H13N3/c1-3-10-4-2-6-14-12(10)11(5-1)15-8-7-13-9-15/h2,4,6-9,11H,1,3,5H2	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat des Saarlandes					Assay Description Thromboxane A2 synthase activity was assayed by measuring the fragmentation of prostaglandin H2 to form 12-hydroxy-5, 8,10-heptadecatrienoic acid and...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM10040 (6-(1H-imidazol-1-yl)isoquinoline | 6-(Imidazol-1-y...) Show SMILES c1cn(cn1)-c1ccc2cnccc2c1 Show InChI InChI=1S/C12H9N3/c1-2-12(15-6-5-14-9-15)7-10-3-4-13-8-11(1)10/h1-9H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat des Saarlandes					Assay Description Thromboxane A2 synthase activity was assayed by measuring the fragmentation of prostaglandin H2 to form 12-hydroxy-5, 8,10-heptadecatrienoic acid and...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair