Compile Data Set for Download or QSAR

Found 176 hits with Last Name = 'dotson' and Initial = 'r'   

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
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003780 (4-(3-Pyridin-3-yl-propyl)-8-(toluene-4-sulfonylami...) Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCCCC(CCCc1cccnc1)CCC(O)=O Show InChI InChI=1S/C23H32N2O4S/c1-19-10-13-22(14-11-19)30(28,29)25-17-3-2-6-20(12-15-23(26)27)7-4-8-21-9-5-16-24-18-21/h5,9-11,13-14,16,18,20,25H,2-4,6-8,12,15,17H2,1H3,(H,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of Thromboxane A2 synthase				J Med Chem 35: 4373-83 (1992) BindingDB Entry DOI: 10.7270/Q2F47N3W
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003792 (8-(4-Fluoro-benzenesulfonylamino)-4-(3-pyridin-3-y...) Show SMILES OC(=O)CCC(CCCCNS(=O)(=O)c1ccc(F)cc1)CCCc1cccnc1 Show InChI InChI=1S/C22H29FN2O4S/c23-20-10-12-21(13-11-20)30(28,29)25-16-2-1-5-18(9-14-22(26)27)6-3-7-19-8-4-15-24-17-19/h4,8,10-13,15,17-18,25H,1-3,5-7,9,14,16H2,(H,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of Thromboxane A2 synthase				J Med Chem 35: 4373-83 (1992) BindingDB Entry DOI: 10.7270/Q2F47N3W
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003784 (8-(4-Chloro-benzenesulfonylamino)-4-[3-(4-methyl-p...) Show SMILES Cc1ccncc1CCCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCC(O)=O Show InChI InChI=1S/C23H31ClN2O4S/c1-18-14-16-25-17-20(18)7-4-6-19(8-13-23(27)28)5-2-3-15-26-31(29,30)22-11-9-21(24)10-12-22/h9-12,14,16-17,19,26H,2-8,13,15H2,1H3,(H,27,28)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of Thromboxane A2 synthase				J Med Chem 35: 4373-83 (1992) BindingDB Entry DOI: 10.7270/Q2F47N3W
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM25400 ((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor				J Med Chem 34: 2570-9 (1991) BindingDB Entry DOI: 10.7270/Q2BZ66NN
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003803 (8-(Naphthalene-2-sulfonylamino)-4-(3-pyridin-3-yl-...) Show SMILES OC(=O)CCC(CCCCNS(=O)(=O)c1ccc2ccccc2c1)CCCc1cccnc1 Show InChI InChI=1S/C26H32N2O4S/c29-26(30)16-13-21(8-5-9-22-10-6-17-27-20-22)7-3-4-18-28-33(31,32)25-15-14-23-11-1-2-12-24(23)19-25/h1-2,6,10-12,14-15,17,19-21,28H,3-5,7-9,13,16,18H2,(H,29,30)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of Thromboxane A2 synthase				J Med Chem 35: 4373-83 (1992) BindingDB Entry DOI: 10.7270/Q2F47N3W
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003801 (4-(3-Pyridin-3-yl-propyl)-8-(4-trifluoromethyl-ben...) Show SMILES OC(=O)CCC(CCCCNS(=O)(=O)c1ccc(cc1)C(F)(F)F)CCCc1cccnc1 Show InChI InChI=1S/C23H29F3N2O4S/c24-23(25,26)20-10-12-21(13-11-20)33(31,32)28-16-2-1-5-18(9-14-22(29)30)6-3-7-19-8-4-15-27-17-19/h4,8,10-13,15,17-18,28H,1-3,5-7,9,14,16H2,(H,29,30)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of Thromboxane A2 synthase				J Med Chem 35: 4373-83 (1992) BindingDB Entry DOI: 10.7270/Q2F47N3W
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003781 (CHEMBL341686 | [5-(4-Chloro-benzenesulfonylamino)-...) Show SMILES OC(=O)CSC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1 Show InChI InChI=1S/C21H27ClN2O4S2/c22-18-9-11-20(12-10-18)30(27,28)24-14-2-1-7-19(29-16-21(25)26)8-3-5-17-6-4-13-23-15-17/h4,6,9-13,15,19,24H,1-3,5,7-8,14,16H2,(H,25,26)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of Thromboxane A2 synthase				J Med Chem 35: 4373-83 (1992) BindingDB Entry DOI: 10.7270/Q2F47N3W
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003776 (8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-y...) Show SMILES OC(=O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1 Show InChI InChI=1S/C22H29ClN2O4S/c23-20-10-12-21(13-11-20)30(28,29)25-16-2-1-5-18(9-14-22(26)27)6-3-7-19-8-4-15-24-17-19/h4,8,10-13,15,17-18,25H,1-3,5-7,9,14,16H2,(H,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of thromboxane synthasase in microsomal platelet preparation				J Med Chem 36: 205-10 (1993) BindingDB Entry DOI: 10.7270/Q2XS5TFK
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003776 (8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-y...) Show SMILES OC(=O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1 Show InChI InChI=1S/C22H29ClN2O4S/c23-20-10-12-21(13-11-20)30(28,29)25-16-2-1-5-18(9-14-22(26)27)6-3-7-19-8-4-15-24-17-19/h4,8,10-13,15,17-18,25H,1-3,5-7,9,14,16H2,(H,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of thromboxane synthase				Bioorg Med Chem Lett 4: 2067-2072 (1994) Article DOI: 10.1016/S0960-894X(01)80103-7 BindingDB Entry DOI: 10.7270/Q2GX4BG6
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003776 (8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-y...) Show SMILES OC(=O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1 Show InChI InChI=1S/C22H29ClN2O4S/c23-20-10-12-21(13-11-20)30(28,29)25-16-2-1-5-18(9-14-22(26)27)6-3-7-19-8-4-15-24-17-19/h4,8,10-13,15,17-18,25H,1-3,5-7,9,14,16H2,(H,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of the compound against thromboxane synthase				Bioorg Med Chem Lett 4: 2073-2076 (1994) Article DOI: 10.1016/S0960-894X(01)80104-9 BindingDB Entry DOI: 10.7270/Q2C53KS7
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003797 (8-(4-Chloro-benzenesulfonylamino)-4-[2-(pyridin-3-...) Show SMILES OC(=O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCOc1cccnc1 Show InChI InChI=1S/C21H27ClN2O5S/c22-18-7-9-20(10-8-18)30(27,28)24-14-2-1-4-17(6-11-21(25)26)12-15-29-19-5-3-13-23-16-19/h3,5,7-10,13,16-17,24H,1-2,4,6,11-12,14-15H2,(H,25,26)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of thromboxane synthasase in microsomal platelet preparation				J Med Chem 36: 205-10 (1993) BindingDB Entry DOI: 10.7270/Q2XS5TFK
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003795 (5-[1-Pyridin-3-yl-1-(3-trifluoromethyl-phenyl)-met...) Show SMILES OC(=O)CCCCO\N=C(\c1cccnc1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C18H17F3N2O3/c19-18(20,21)15-7-3-5-13(11-15)17(14-6-4-9-22-12-14)23-26-10-2-1-8-16(24)25/h3-7,9,11-12H,1-2,8,10H2,(H,24,25)/b23-17+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Similars	DrugBank PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of Thromboxane A2 synthase				J Med Chem 35: 4373-83 (1992) BindingDB Entry DOI: 10.7270/Q2F47N3W
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003798 (8-(4-Chloro-benzenesulfonylamino)-4-(3-imidazol-1-...) Show SMILES OC(=O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCn1ccnc1 Show InChI InChI=1S/C20H28ClN3O4S/c21-18-7-9-19(10-8-18)29(27,28)23-12-2-1-4-17(6-11-20(25)26)5-3-14-24-15-13-22-16-24/h7-10,13,15-17,23H,1-6,11-12,14H2,(H,25,26)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of Thromboxane A2 synthase				J Med Chem 35: 4373-83 (1992) BindingDB Entry DOI: 10.7270/Q2F47N3W
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003799 (8-(4-Chloro-benzenesulfonylamino)-2-methyl-4-(3-py...) Show SMILES CC(CC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1)C(O)=O Show InChI InChI=1S/C23H31ClN2O4S/c1-18(23(27)28)16-19(7-4-8-20-9-5-14-25-17-20)6-2-3-15-26-31(29,30)22-12-10-21(24)11-13-22/h5,9-14,17-19,26H,2-4,6-8,15-16H2,1H3,(H,27,28)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of Thromboxane A2 synthase				J Med Chem 35: 4373-83 (1992) BindingDB Entry DOI: 10.7270/Q2F47N3W
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003800 (8-(4-Methoxy-benzenesulfonylamino)-4-(3-pyridin-3-...) Show SMILES COc1ccc(cc1)S(=O)(=O)NCCCCC(CCCc1cccnc1)CCC(O)=O Show InChI InChI=1S/C23H32N2O5S/c1-30-21-11-13-22(14-12-21)31(28,29)25-17-3-2-6-19(10-15-23(26)27)7-4-8-20-9-5-16-24-18-20/h5,9,11-14,16,18-19,25H,2-4,6-8,10,15,17H2,1H3,(H,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of Thromboxane A2 synthase				J Med Chem 35: 4373-83 (1992) BindingDB Entry DOI: 10.7270/Q2F47N3W
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003796 (8-(4-Chloro-benzenesulfonylamino)-4-[3-(1-oxy-pyri...) Show SMILES OC(=O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1ccc[n+]([O-])c1 Show InChI InChI=1S/C22H29ClN2O5S/c23-20-10-12-21(13-11-20)31(29,30)24-15-2-1-5-18(9-14-22(26)27)6-3-7-19-8-4-16-25(28)17-19/h4,8,10-13,16-18,24H,1-3,5-7,9,14-15H2,(H,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of Thromboxane A2 synthase				J Med Chem 35: 4373-83 (1992) BindingDB Entry DOI: 10.7270/Q2F47N3W
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003797 (8-(4-Chloro-benzenesulfonylamino)-4-[2-(pyridin-3-...) Show SMILES OC(=O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCOc1cccnc1 Show InChI InChI=1S/C21H27ClN2O5S/c22-18-7-9-20(10-8-18)30(27,28)24-14-2-1-4-17(6-11-21(25)26)12-15-29-19-5-3-13-23-16-19/h3,5,7-10,13,16-17,24H,1-2,4,6,11-12,14-15H2,(H,25,26)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of Thromboxane A2 synthase				J Med Chem 35: 4373-83 (1992) BindingDB Entry DOI: 10.7270/Q2F47N3W
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50025953 (6-Imidazo[1,5-a]pyridin-5-yl-hexanoic acid | CGS-1...) Show SMILES OC(=O)CCCCCc1cccc2cncn12 Show InChI InChI=1S/C13H16N2O2/c16-13(17)8-3-1-2-5-11-6-4-7-12-9-14-10-15(11)12/h4,6-7,9-10H,1-3,5,8H2,(H,16,17)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of thromboxane synthase				Bioorg Med Chem Lett 4: 2067-2072 (1994) Article DOI: 10.1016/S0960-894X(01)80103-7 BindingDB Entry DOI: 10.7270/Q2GX4BG6
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003795 (5-[1-Pyridin-3-yl-1-(3-trifluoromethyl-phenyl)-met...) Show SMILES OC(=O)CCCCO\N=C(\c1cccnc1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C18H17F3N2O3/c19-18(20,21)15-7-3-5-13(11-15)17(14-6-4-9-22-12-14)23-26-10-2-1-8-16(24)25/h3-7,9,11-12H,1-2,8,10H2,(H,24,25)/b23-17+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Similars	DrugBank Article	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of the compound against thromboxane synthase				Bioorg Med Chem Lett 4: 2073-2076 (1994) Article DOI: 10.1016/S0960-894X(01)80104-9 BindingDB Entry DOI: 10.7270/Q2C53KS7
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50046312 (8-(4-Chloro-benzenesulfonylamino)-4-[2-(pyridin-3-...) Show SMILES OC(=O)CC[C@H](CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCOc1cccnc1 Show InChI InChI=1S/C21H27ClN2O5S/c22-18-7-9-20(10-8-18)30(27,28)24-14-2-1-4-17(6-11-21(25)26)12-15-29-19-5-3-13-23-16-19/h3,5,7-10,13,16-17,24H,1-2,4,6,11-12,14-15H2,(H,25,26)/t17-/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of thromboxane synthasase in microsomal platelet preparation				J Med Chem 36: 205-10 (1993) BindingDB Entry DOI: 10.7270/Q2XS5TFK
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003789 (8-(4-Methanesulfonyl-benzenesulfonylamino)-4-(3-py...) Show SMILES CS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCCCCC(CCCc1cccnc1)CCC(O)=O Show InChI InChI=1S/C23H32N2O6S2/c1-32(28,29)21-11-13-22(14-12-21)33(30,31)25-17-3-2-6-19(10-15-23(26)27)7-4-8-20-9-5-16-24-18-20/h5,9,11-14,16,18-19,25H,2-4,6-8,10,15,17H2,1H3,(H,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of Thromboxane A2 synthase				J Med Chem 35: 4373-83 (1992) BindingDB Entry DOI: 10.7270/Q2F47N3W
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003794 (8-(4-Azido-benzenesulfonylamino)-4-(3-pyridin-3-yl...) Show SMILES OC(=O)CCC(CCCCNS(=O)(=O)c1ccc(cc1)N=[N+]=[N-])CCCc1cccnc1 Show InChI InChI=1S/C22H29N5O4S/c23-27-26-20-10-12-21(13-11-20)32(30,31)25-16-2-1-5-18(9-14-22(28)29)6-3-7-19-8-4-15-24-17-19/h4,8,10-13,15,17-18,25H,1-3,5-7,9,14,16H2,(H,28,29)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of Thromboxane A2 synthase				J Med Chem 35: 4373-83 (1992) BindingDB Entry DOI: 10.7270/Q2F47N3W
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50283051 ((Z)-7-[(2S,3R,4R)-4-(Biphenyl-4-ylmethoxy)-2-pyrid...) Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@H](CO[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H31NO4/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27-,29+/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of the compound against thromboxane synthase				Bioorg Med Chem Lett 4: 2073-2076 (1994) Article DOI: 10.1016/S0960-894X(01)80104-9 BindingDB Entry DOI: 10.7270/Q2C53KS7
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50283051 ((Z)-7-[(2S,3R,4R)-4-(Biphenyl-4-ylmethoxy)-2-pyrid...) Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@H](CO[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H31NO4/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27-,29+/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition against thromboxane synthase				Bioorg Med Chem Lett 4: 2073-2076 (1994) Article DOI: 10.1016/S0960-894X(01)80104-9 BindingDB Entry DOI: 10.7270/Q2C53KS7
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50046311 (8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-y...) Show SMILES OC(=O)CC[C@@H](CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1 Show InChI InChI=1S/C22H29ClN2O4S/c23-20-10-12-21(13-11-20)30(28,29)25-16-2-1-5-18(9-14-22(26)27)6-3-7-19-8-4-15-24-17-19/h4,8,10-13,15,17-18,25H,1-3,5-7,9,14,16H2,(H,26,27)/t18-/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of thromboxane synthasase in microsomal platelet preparation				J Med Chem 36: 205-10 (1993) BindingDB Entry DOI: 10.7270/Q2XS5TFK
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003787 (4-Chloro-N-{8-pyridin-3-yl-5-[2-(5H-tetrazol-5-yl)...) Show SMILES Clc1ccc(cc1)S(=O)(=O)NCCCCC(CCCc1cccnc1)CCc1nnn[nH]1 Show InChI InChI=1S/C22H29ClN6O2S/c23-20-10-12-21(13-11-20)32(30,31)25-16-2-1-5-18(9-14-22-26-28-29-27-22)6-3-7-19-8-4-15-24-17-19/h4,8,10-13,15,17-18,25H,1-3,5-7,9,14,16H2,(H,26,27,28,29)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of Thromboxane A2 synthase				J Med Chem 35: 4373-83 (1992) BindingDB Entry DOI: 10.7270/Q2F47N3W
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50046309 (8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-y...) Show SMILES OC(=O)CC[C@H](CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1 Show InChI InChI=1S/C22H29ClN2O4S/c23-20-10-12-21(13-11-20)30(28,29)25-16-2-1-5-18(9-14-22(26)27)6-3-7-19-8-4-15-24-17-19/h4,8,10-13,15,17-18,25H,1-3,5-7,9,14,16H2,(H,26,27)/t18-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of thromboxane synthasase in microsomal platelet preparation				J Med Chem 36: 205-10 (1993) BindingDB Entry DOI: 10.7270/Q2XS5TFK
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50009552 (2-[6-Amino-2-(2-morpholin-4-yl-ethylamino)-purin-9...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12 |r| Show InChI InChI=1S/C16H23N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-13,16,22-24H,1-6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor				J Med Chem 34: 2570-9 (1991) BindingDB Entry DOI: 10.7270/Q2BZ66NN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50118810 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...) Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor				J Med Chem 34: 2570-9 (1991) BindingDB Entry DOI: 10.7270/Q2BZ66NN
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003790 (CHEMBL136880 | Potassium; 8-(4-chloro-benzenesulfo...) Show SMILES [O-]C(=O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)C\C=C\c1cccnc1 Show InChI InChI=1S/C22H27ClN2O4S/c23-20-10-12-21(13-11-20)30(28,29)25-16-2-1-5-18(9-14-22(26)27)6-3-7-19-8-4-15-24-17-19/h3-4,7-8,10-13,15,17-18,25H,1-2,5-6,9,14,16H2,(H,26,27)/p-1/b7-3+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of Thromboxane A2 synthase				J Med Chem 35: 4373-83 (1992) BindingDB Entry DOI: 10.7270/Q2F47N3W
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003804 (7-(4-Chloro-benzenesulfonylamino)-3-(3-pyridin-3-y...) Show SMILES OC(=O)CC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1 Show InChI InChI=1S/C21H27ClN2O4S/c22-19-9-11-20(12-10-19)29(27,28)24-14-2-1-5-17(15-21(25)26)6-3-7-18-8-4-13-23-16-18/h4,8-13,16-17,24H,1-3,5-7,14-15H2,(H,25,26)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of Thromboxane A2 synthase				J Med Chem 35: 4373-83 (1992) BindingDB Entry DOI: 10.7270/Q2F47N3W
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50280267 (CHEMBL295121 | [3-[3-(4-Chloro-benzenesulfonylamin...) Show SMILES OC(=O)Cc1cc(CCCNS(=O)(=O)c2ccc(Cl)cc2)cc(CCc2cccnc2)c1 Show InChI InChI=1S/C24H25ClN2O4S/c25-22-7-9-23(10-8-22)32(30,31)27-12-2-4-19-13-20(15-21(14-19)16-24(28)29)6-5-18-3-1-11-26-17-18/h1,3,7-11,13-15,17,27H,2,4-6,12,16H2,(H,28,29)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against thromboxane synthase enzyme from human microsomal platelet preparation				Bioorg Med Chem Lett 2: 1623-1626 (1992) Article DOI: 10.1016/S0960-894X(00)80443-6 BindingDB Entry DOI: 10.7270/Q26M36QQ
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50280268 (3-[3-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-5-(...) Show SMILES COC(=O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(CCc2cccnc2)c1 Show InChI InChI=1S/C25H27ClN2O4S/c1-32-25(29)11-6-21-15-20(5-4-19-3-2-13-27-18-19)16-22(17-21)12-14-28-33(30,31)24-9-7-23(26)8-10-24/h2-3,7-10,13,15-18,28H,4-6,11-12,14H2,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against thromboxane synthase enzyme from human microsomal platelet preparation				Bioorg Med Chem Lett 2: 1623-1626 (1992) Article DOI: 10.1016/S0960-894X(00)80443-6 BindingDB Entry DOI: 10.7270/Q26M36QQ
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003793 (8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-y...) Show SMILES OC(=O)\C=C\C(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1 Show InChI InChI=1S/C22H27ClN2O4S/c23-20-10-12-21(13-11-20)30(28,29)25-16-2-1-5-18(9-14-22(26)27)6-3-7-19-8-4-15-24-17-19/h4,8-15,17-18,25H,1-3,5-7,16H2,(H,26,27)/b14-9+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of Thromboxane A2 synthase				J Med Chem 35: 4373-83 (1992) BindingDB Entry DOI: 10.7270/Q2F47N3W
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50283046 ((Z)-7-[(2S,3S,4S)-4-(Biphenyl-4-ylmethoxy)-2-pyrid...) Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@@H](CS[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H31NO3S/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27+,29+/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro thromboxane receptor antagonist activity was determined by inhibition of U-46619 induced aggregation of washed human platelets				Bioorg Med Chem Lett 4: 2067-2072 (1994) Article DOI: 10.1016/S0960-894X(01)80103-7 BindingDB Entry DOI: 10.7270/Q2GX4BG6
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50283042 ((Z)-7-[(2S,3S,4R)-4-(Biphenyl-4-ylmethoxy)-2-pyrid...) Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@H](CS[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H31NO3S/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27-,29+/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of thromboxane synthase				Bioorg Med Chem Lett 4: 2067-2072 (1994) Article DOI: 10.1016/S0960-894X(01)80103-7 BindingDB Entry DOI: 10.7270/Q2GX4BG6
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50283049 ((Z)-7-[(1R,2R,3S,5S)-5-(Biphenyl-4-ylmethoxy)-3-hy...) Show SMILES O[C@H]1C[C@H](OCc2ccc(cc2)-c2ccccc2)[C@H](CC\C=C/CCC(O)=O)[C@H]1N1CCCCC1 Show InChI InChI=1S/C30H39NO4/c32-27-21-28(35-22-23-15-17-25(18-16-23)24-11-5-3-6-12-24)26(13-7-1-2-8-14-29(33)34)30(27)31-19-9-4-10-20-31/h1-3,5-6,11-12,15-18,26-28,30,32H,4,7-10,13-14,19-22H2,(H,33,34)/b2-1-/t26-,27-,28-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro thromboxane receptor antagonist activity was determined by inhibition of U-46619 induced aggregation of washed human platelets				Bioorg Med Chem Lett 4: 2067-2072 (1994) Article DOI: 10.1016/S0960-894X(01)80103-7 BindingDB Entry DOI: 10.7270/Q2GX4BG6
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50283046 ((Z)-7-[(2S,3S,4S)-4-(Biphenyl-4-ylmethoxy)-2-pyrid...) Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@@H](CS[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H31NO3S/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27+,29+/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of thromboxane synthase				Bioorg Med Chem Lett 4: 2067-2072 (1994) Article DOI: 10.1016/S0960-894X(01)80103-7 BindingDB Entry DOI: 10.7270/Q2GX4BG6
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50046310 (8-(4-Chloro-benzenesulfonylamino)-4-[2-(pyridin-3-...) Show SMILES OC(=O)CC[C@@H](CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCOc1cccnc1 Show InChI InChI=1S/C21H27ClN2O5S/c22-18-7-9-20(10-8-18)30(27,28)24-14-2-1-4-17(6-11-21(25)26)12-15-29-19-5-3-13-23-16-19/h3,5,7-10,13,16-17,24H,1-2,4,6,11-12,14-15H2,(H,25,26)/t17-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of thromboxane synthasase in microsomal platelet preparation				J Med Chem 36: 205-10 (1993) BindingDB Entry DOI: 10.7270/Q2XS5TFK
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50283046 ((Z)-7-[(2S,3S,4S)-4-(Biphenyl-4-ylmethoxy)-2-pyrid...) Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@@H](CS[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H31NO3S/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27+,29+/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of thromboxane synthase				Bioorg Med Chem Lett 4: 2067-2072 (1994) Article DOI: 10.1016/S0960-894X(01)80103-7 BindingDB Entry DOI: 10.7270/Q2GX4BG6
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50009535 ((CGS 22,989) 2-[6-Amino-2-(2-cyclohex-1-enyl-ethyl...) Show SMILES Nc1nc(NCCC2=CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |t:7| Show InChI InChI=1S/C18H26N6O4/c19-15-12-16(23-18(22-15)20-7-6-10-4-2-1-3-5-10)24(9-21-12)17-14(27)13(26)11(8-25)28-17/h4,9,11,13-14,17,25-27H,1-3,5-8H2,(H3,19,20,22,23)/t11-,13-,14-,17?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor				J Med Chem 34: 2570-9 (1991) BindingDB Entry DOI: 10.7270/Q2BZ66NN
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50280260 (7-{4-[3-(4-Chloro-benzenesulfonylamino)-propyl]-py...) Show SMILES OC(=O)CCCCCCc1cnccc1CCCNS(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H27ClN2O4S/c22-19-9-11-20(12-10-19)29(27,28)24-14-5-7-17-13-15-23-16-18(17)6-3-1-2-4-8-21(25)26/h9-13,15-16,24H,1-8,14H2,(H,25,26)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against thromboxane synthase enzyme				Bioorg Med Chem Lett 2: 1619-1622 (1992) Article DOI: 10.1016/S0960-894X(00)80442-4 BindingDB Entry DOI: 10.7270/Q2BC3ZF2
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50280264 (3-[5-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-2-(...) Show SMILES OC(=O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)ccc1CCc1cccnc1 Show InChI InChI=1S/C24H25ClN2O4S/c25-22-8-10-23(11-9-22)32(30,31)27-15-13-18-3-5-20(21(16-18)7-12-24(28)29)6-4-19-2-1-14-26-17-19/h1-3,5,8-11,14,16-17,27H,4,6-7,12-13,15H2,(H,28,29)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against thromboxane synthase enzyme from human microsomal platelet preparation				Bioorg Med Chem Lett 2: 1623-1626 (1992) Article DOI: 10.1016/S0960-894X(00)80443-6 BindingDB Entry DOI: 10.7270/Q26M36QQ
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor				J Med Chem 34: 2570-9 (1991) BindingDB Entry DOI: 10.7270/Q2BZ66NN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor				J Med Chem 34: 2570-9 (1991) BindingDB Entry DOI: 10.7270/Q2BZ66NN
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50283051 ((Z)-7-[(2S,3R,4R)-4-(Biphenyl-4-ylmethoxy)-2-pyrid...) Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@H](CO[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H31NO4/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27-,29+/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of the compound against thromboxane synthase				Bioorg Med Chem Lett 4: 2073-2076 (1994) Article DOI: 10.1016/S0960-894X(01)80104-9 BindingDB Entry DOI: 10.7270/Q2C53KS7
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50009543 (2-{6-Amino-2-[2-(5,6,7,8-tetrahydro-naphthalen-2-y...) Show SMILES Nc1nc(NCCc2ccc3CCCCc3c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C22H28N6O4/c23-19-16-20(28(11-25-16)21-18(31)17(30)15(10-29)32-21)27-22(26-19)24-8-7-12-5-6-13-3-1-2-4-14(13)9-12/h5-6,9,11,15,17-18,21,29-31H,1-4,7-8,10H2,(H3,23,24,26,27)/t15-,17-,18-,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor				J Med Chem 34: 2570-9 (1991) BindingDB Entry DOI: 10.7270/Q2BZ66NN
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003791 (CHEMBL343535 | [5-(4-Chloro-benzenesulfonylamino)-...) Show SMILES OC(=O)COC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1 Show InChI InChI=1S/C21H27ClN2O5S/c22-18-9-11-20(12-10-18)30(27,28)24-14-2-1-7-19(29-16-21(25)26)8-3-5-17-6-4-13-23-15-17/h4,6,9-13,15,19,24H,1-3,5,7-8,14,16H2,(H,25,26)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of Thromboxane A2 synthase				J Med Chem 35: 4373-83 (1992) BindingDB Entry DOI: 10.7270/Q2F47N3W
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50283047 ((Z)-7-[(2S,3S,4S)-4-(Biphenyl-4-ylmethoxy)-1,1-dio...) Show SMILES OC(=O)CC\C=C/CC[C@H]1[C@@H](CS(=O)(=O)[C@@H]1c1cccnc1)OCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H31NO5S/c31-28(32)13-7-2-1-6-12-26-27(21-36(33,34)29(26)25-11-8-18-30-19-25)35-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/b2-1-/t26-,27+,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro thromboxane receptor antagonist activity was determined by inhibition of U-46619 induced aggregation of washed human platelets				Bioorg Med Chem Lett 4: 2067-2072 (1994) Article DOI: 10.1016/S0960-894X(01)80103-7 BindingDB Entry DOI: 10.7270/Q2GX4BG6
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50003776 (8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-y...) Show SMILES OC(=O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1 Show InChI InChI=1S/C22H29ClN2O4S/c23-20-10-12-21(13-11-20)30(28,29)25-16-2-1-5-18(9-14-22(26)27)6-3-7-19-8-4-15-24-17-19/h4,8,10-13,15,17-18,25H,1-3,5-7,9,14,16H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro thromboxane receptor antagonist activity was determined by inhibition of U-46619 induced aggregation of washed human platelets				Bioorg Med Chem Lett 4: 2067-2072 (1994) Article DOI: 10.1016/S0960-894X(01)80103-7 BindingDB Entry DOI: 10.7270/Q2GX4BG6
					More data for this Ligand-Target Pair

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