Compile Data Set for Download or QSAR

Found 193 hits with Last Name = 'faull' and Initial = 'aw'   

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
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50185681 ((R)-N-ethyl-N-(1-(3-(3-fluorophenyl)-3-(4-(methyls...) Show SMILES CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cccc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C32H39FN2O5S2/c1-4-35(32(36)22-24-8-12-29(13-9-24)41(2,37)38)28-16-19-34(20-17-28)21-18-31(26-6-5-7-27(33)23-26)25-10-14-30(15-11-25)42(3,39)40/h5-15,23,28,31H,4,16-22H2,1-3H3/t31-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha to human recombinant CCR5 expressed in CHO cells				Bioorg Med Chem Lett 16: 3533-6 (2006) Article DOI: 10.1016/j.bmcl.2006.03.089 BindingDB Entry DOI: 10.7270/Q24B30XJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50185666 ((R)-N-(1-(3-(3,5-difluorophenyl)-3-(4-(methylsulfo...) Show SMILES CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cc(F)cc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C32H38F2N2O5S2/c1-4-36(32(37)19-23-5-9-29(10-6-23)42(2,38)39)28-13-16-35(17-14-28)18-15-31(25-20-26(33)22-27(34)21-25)24-7-11-30(12-8-24)43(3,40)41/h5-12,20-22,28,31H,4,13-19H2,1-3H3/t31-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha to human recombinant CCR5 expressed in CHO cells				Bioorg Med Chem Lett 16: 3533-6 (2006) Article DOI: 10.1016/j.bmcl.2006.03.089 BindingDB Entry DOI: 10.7270/Q24B30XJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50185673 ((S)-N-ethyl-2-(4-(methylsulfonyl)phenyl)-N-(1-(3-(...) Show SMILES CCN(C1CCN(CC[C@@H](c2ccccc2)c2ccc(cc2)S(C)(=O)=O)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C32H40N2O5S2/c1-4-34(32(35)24-25-10-14-29(15-11-25)40(2,36)37)28-18-21-33(22-19-28)23-20-31(26-8-6-5-7-9-26)27-12-16-30(17-13-27)41(3,38)39/h5-17,28,31H,4,18-24H2,1-3H3/t31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha to human recombinant CCR5 expressed in CHO cells				Bioorg Med Chem Lett 16: 3533-6 (2006) Article DOI: 10.1016/j.bmcl.2006.03.089 BindingDB Entry DOI: 10.7270/Q24B30XJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50185670 ((R)-N-(1-(3-(3-chlorophenyl)-3-(4-(methylsulfonyl)...) Show SMILES CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cccc(Cl)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C32H39ClN2O5S2/c1-4-35(32(36)22-24-8-12-29(13-9-24)41(2,37)38)28-16-19-34(20-17-28)21-18-31(26-6-5-7-27(33)23-26)25-10-14-30(15-11-25)42(3,39)40/h5-15,23,28,31H,4,16-22H2,1-3H3/t31-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha to human recombinant CCR5 expressed in CHO cells				Bioorg Med Chem Lett 16: 3533-6 (2006) Article DOI: 10.1016/j.bmcl.2006.03.089 BindingDB Entry DOI: 10.7270/Q24B30XJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50185667 ((R)-N-(1-(3-(3-chloro-5-fluorophenyl)-3-(4-(methyl...) Show SMILES CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cc(F)cc(Cl)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C32H38ClFN2O5S2/c1-4-36(32(37)19-23-5-9-29(10-6-23)42(2,38)39)28-13-16-35(17-14-28)18-15-31(25-20-26(33)22-27(34)21-25)24-7-11-30(12-8-24)43(3,40)41/h5-12,20-22,28,31H,4,13-19H2,1-3H3/t31-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha to human recombinant CCR5 expressed in CHO cells				Bioorg Med Chem Lett 16: 3533-6 (2006) Article DOI: 10.1016/j.bmcl.2006.03.089 BindingDB Entry DOI: 10.7270/Q24B30XJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50173389 (CHEMBL198150 | N-Ethyl-2-(4-methanesulfonyl-phenyl...) Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccc(cc2)S(C)(=O)=O)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C32H40N2O5S2/c1-4-34(32(35)24-25-10-14-29(15-11-25)40(2,36)37)28-18-21-33(22-19-28)23-20-31(26-8-6-5-7-9-26)27-12-16-30(17-13-27)41(3,38)39/h5-17,28,31H,4,18-24H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha to human recombinant CCR5 expressed in CHO cells				Bioorg Med Chem Lett 16: 3533-6 (2006) Article DOI: 10.1016/j.bmcl.2006.03.089 BindingDB Entry DOI: 10.7270/Q24B30XJ
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036368 ((Z)-6-[2-(1,1-Dimethyl-2-phenyl-ethyl)-4-pyridin-3...) Show SMILES CC(C)(Cc1ccccc1)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1 Show InChI InChI=1S/C25H31NO4/c1-25(2,16-19-10-5-3-6-11-19)24-29-18-21(12-7-4-8-14-22(27)28)23(30-24)20-13-9-15-26-17-20/h3-7,9-11,13,15,17,21,23-24H,8,12,14,16,18H2,1-2H3,(H,27,28)/b7-4-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036355 ((Z)-6-{2-[1-(2-Cyano-4-fluoro-phenoxy)-1-methyl-et...) Show SMILES CC(C)(Oc1ccc(F)cc1C#N)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1 Show InChI InChI=1S/C25H27FN2O5/c1-25(2,33-21-11-10-20(26)13-19(21)14-27)24-31-16-18(7-4-3-5-9-22(29)30)23(32-24)17-8-6-12-28-15-17/h3-4,6,8,10-13,15,18,23-24H,5,7,9,16H2,1-2H3,(H,29,30)/b4-3-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50010960 ((E)-7-Phenyl-7-pyridin-3-yl-hept-6-enoic acid | 7-...) Show SMILES OC(=O)CCCC\C=C(/c1ccccc1)c1cccnc1 Show InChI InChI=1S/C18H19NO2/c20-18(21)12-6-2-5-11-17(15-8-3-1-4-9-15)16-10-7-13-19-14-16/h1,3-4,7-11,13-14H,2,5-6,12H2,(H,20,21)/b17-11+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50280074 ((Z)-6-{(2S,4S,5R)-2-[1-Methyl-1-(4-methyl-2-nitro-...) Show SMILES Cc1ccc(OC(C)(C)[C@H]2OC[C@@H](C\C=C/CCC(O)=O)[C@H](O2)c2cncs2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C23H28N2O7S/c1-15-9-10-18(17(11-15)25(28)29)32-23(2,3)22-30-13-16(7-5-4-6-8-20(26)27)21(31-22)19-12-24-14-33-19/h4-5,9-12,14,16,21-22H,6-8,13H2,1-3H3,(H,26,27)/b5-4-/t16-,21+,22+/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human Thromboxane A2 synthase				Bioorg Med Chem Lett 2: 1181-1186 (1992) Article DOI: 10.1016/S0960-894X(00)80210-3 BindingDB Entry DOI: 10.7270/Q2SJ1KHD
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50280066 ((Z)-6-{(2S,4S,5R)-2-[1-Methyl-1-(4-methyl-2-nitro-...) Show SMILES Cc1ccc(OC(C)(C)[C@H]2OC[C@@H](C\C=C/CCC(O)=O)[C@H](O2)c2cccnc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C25H30N2O7/c1-17-11-12-21(20(14-17)27(30)31)34-25(2,3)24-32-16-19(8-5-4-6-10-22(28)29)23(33-24)18-9-7-13-26-15-18/h4-5,7,9,11-15,19,23-24H,6,8,10,16H2,1-3H3,(H,28,29)/b5-4-/t19-,23-,24+/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human Thromboxane A2 synthase				Bioorg Med Chem Lett 2: 1181-1186 (1992) Article DOI: 10.1016/S0960-894X(00)80210-3 BindingDB Entry DOI: 10.7270/Q2SJ1KHD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50185676 ((R)-N-(1-(3-(2,3-difluorophenyl)-3-(4-(methylsulfo...) Show SMILES CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cccc(F)c2F)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C32H38F2N2O5S2/c1-4-36(31(37)22-23-8-12-26(13-9-23)42(2,38)39)25-16-19-35(20-17-25)21-18-28(29-6-5-7-30(33)32(29)34)24-10-14-27(15-11-24)43(3,40)41/h5-15,25,28H,4,16-22H2,1-3H3/t28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha to human recombinant CCR5 expressed in CHO cells				Bioorg Med Chem Lett 16: 3533-6 (2006) Article DOI: 10.1016/j.bmcl.2006.03.089 BindingDB Entry DOI: 10.7270/Q24B30XJ
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50288601 ((Z)-6-[(2S,4S,5R)-2-(4-Cyano-phenyl)-4-pyridin-3-y...) Show SMILES OC(=O)CC\C=C/C[C@@H]1CO[C@@H](O[C@@H]1c1cccnc1)c1ccc(cc1)C#N Show InChI InChI=1S/C22H22N2O4/c23-13-16-8-10-17(11-9-16)22-27-15-19(5-2-1-3-7-20(25)26)21(28-22)18-6-4-12-24-14-18/h1-2,4,6,8-12,14,19,21-22H,3,5,7,15H2,(H,25,26)/b2-1-/t19-,21-,22+/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for thromboxane TXA2 synthase inhibitory activity using human platelet				Bioorg Med Chem Lett 6: 273-278 (1996) Article DOI: 10.1016/0960-894X(96)00004-2 BindingDB Entry DOI: 10.7270/Q2PG1RR0
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50185668 ((R)-N-ethyl-2-(4-(methylsulfonyl)phenyl)-N-(1-(3-(...) Show SMILES CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cccc(c2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C33H39F3N2O5S2/c1-4-38(32(39)22-24-8-12-29(13-9-24)44(2,40)41)28-16-19-37(20-17-28)21-18-31(25-10-14-30(15-11-25)45(3,42)43)26-6-5-7-27(23-26)33(34,35)36/h5-15,23,28,31H,4,16-22H2,1-3H3/t31-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha to human recombinant CCR5 expressed in CHO cells				Bioorg Med Chem Lett 16: 3533-6 (2006) Article DOI: 10.1016/j.bmcl.2006.03.089 BindingDB Entry DOI: 10.7270/Q24B30XJ
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036354 ((Z)-6-{2-[1-(4-Fluoro-2-nitro-phenoxy)-1-methyl-et...) Show SMILES CC(C)(Oc1ccc(F)cc1[N+]([O-])=O)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1 Show InChI InChI=1S/C24H27FN2O7/c1-24(2,34-20-11-10-18(25)13-19(20)27(30)31)23-32-15-17(7-4-3-5-9-21(28)29)22(33-23)16-8-6-12-26-14-16/h3-4,6,8,10-14,17,22-23H,5,7,9,15H2,1-2H3,(H,28,29)/b4-3-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50185672 ((R)-N-(1-(3-(3,4-difluorophenyl)-3-(4-(methylsulfo...) Show SMILES CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2ccc(F)c(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C32H38F2N2O5S2/c1-4-36(32(37)21-23-5-10-27(11-6-23)42(2,38)39)26-15-18-35(19-16-26)20-17-29(25-9-14-30(33)31(34)22-25)24-7-12-28(13-8-24)43(3,40)41/h5-14,22,26,29H,4,15-21H2,1-3H3/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha to human recombinant CCR5 expressed in CHO cells				Bioorg Med Chem Lett 16: 3533-6 (2006) Article DOI: 10.1016/j.bmcl.2006.03.089 BindingDB Entry DOI: 10.7270/Q24B30XJ
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036345 ((Z)-6-{2-[1-Methyl-1-(4-methylsulfanyl-2-nitro-phe...) Show SMILES CSc1ccc(OC(C)(C)C2OCC(C\C=C/CCC(O)=O)C(O2)c2cccnc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C25H30N2O7S/c1-25(2,34-21-12-11-19(35-3)14-20(21)27(30)31)24-32-16-18(8-5-4-6-10-22(28)29)23(33-24)17-9-7-13-26-15-17/h4-5,7,9,11-15,18,23-24H,6,8,10,16H2,1-3H3,(H,28,29)/b5-4-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036362 ((Z)-6-{2-[1-(4-Bromo-phenoxy)-1-methyl-ethyl]-4-py...) Show SMILES CC(C)(Oc1ccc(Br)cc1)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1 Show InChI InChI=1S/C24H28BrNO5/c1-24(2,31-20-12-10-19(25)11-13-20)23-29-16-18(7-4-3-5-9-21(27)28)22(30-23)17-8-6-14-26-15-17/h3-4,6,8,10-15,18,22-23H,5,7,9,16H2,1-2H3,(H,27,28)/b4-3-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036362 ((Z)-6-{2-[1-(4-Bromo-phenoxy)-1-methyl-ethyl]-4-py...) Show SMILES CC(C)(Oc1ccc(Br)cc1)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1 Show InChI InChI=1S/C24H28BrNO5/c1-24(2,31-20-12-10-19(25)11-13-20)23-29-16-18(7-4-3-5-9-21(27)28)22(30-23)17-8-6-14-26-15-17/h3-4,6,8,10-15,18,22-23H,5,7,9,16H2,1-2H3,(H,27,28)/b4-3-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036364 ((Z)-6-[2-(4-Cyano-phenyl)-4-pyridin-3-yl-[1,3]diox...) Show SMILES OC(=O)CC\C=C/CC1COC(OC1c1cccnc1)c1ccc(cc1)C#N Show InChI InChI=1S/C22H22N2O4/c23-13-16-8-10-17(11-9-16)22-27-15-19(5-2-1-3-7-20(25)26)21(28-22)18-6-4-12-24-14-18/h1-2,4,6,8-12,14,19,21-22H,3,5,7,15H2,(H,25,26)/b2-1-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036361 ((Z)-6-{2-[1-(2-Cyano-4-methyl-phenoxy)-1-methyl-et...) Show SMILES Cc1ccc(OC(C)(C)C2OCC(C\C=C/CCC(O)=O)C(O2)c2cccnc2)c(c1)C#N Show InChI InChI=1S/C26H30N2O5/c1-18-11-12-22(21(14-18)15-27)33-26(2,3)25-31-17-20(8-5-4-6-10-23(29)30)24(32-25)19-9-7-13-28-16-19/h4-5,7,9,11-14,16,20,24-25H,6,8,10,17H2,1-3H3,(H,29,30)/b5-4-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50185674 ((R)-N-ethyl-2-(4-(methylsulfonyl)phenyl)-N-(1-(3-(...) Show SMILES CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cc(F)c(F)c(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C32H37F3N2O5S2/c1-4-37(31(38)19-22-5-9-26(10-6-22)43(2,39)40)25-13-16-36(17-14-25)18-15-28(24-20-29(33)32(35)30(34)21-24)23-7-11-27(12-8-23)44(3,41)42/h5-12,20-21,25,28H,4,13-19H2,1-3H3/t28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha to human recombinant CCR5 expressed in CHO cells				Bioorg Med Chem Lett 16: 3533-6 (2006) Article DOI: 10.1016/j.bmcl.2006.03.089 BindingDB Entry DOI: 10.7270/Q24B30XJ
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036361 ((Z)-6-{2-[1-(2-Cyano-4-methyl-phenoxy)-1-methyl-et...) Show SMILES Cc1ccc(OC(C)(C)C2OCC(C\C=C/CCC(O)=O)C(O2)c2cccnc2)c(c1)C#N Show InChI InChI=1S/C26H30N2O5/c1-18-11-12-22(21(14-18)15-27)33-26(2,3)25-31-17-20(8-5-4-6-10-23(29)30)24(32-25)19-9-7-13-28-16-19/h4-5,7,9,11-14,16,20,24-25H,6,8,10,17H2,1-3H3,(H,29,30)/b5-4-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50185669 ((R)-N-ethyl-N-(1-(3-(3-methoxyphenyl)-3-(4-(methyl...) Show SMILES CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cccc(OC)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C33H42N2O6S2/c1-5-35(33(36)23-25-9-13-30(14-10-25)42(3,37)38)28-17-20-34(21-18-28)22-19-32(27-7-6-8-29(24-27)41-2)26-11-15-31(16-12-26)43(4,39)40/h6-16,24,28,32H,5,17-23H2,1-4H3/t32-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha to human recombinant CCR5 expressed in CHO cells				Bioorg Med Chem Lett 16: 3533-6 (2006) Article DOI: 10.1016/j.bmcl.2006.03.089 BindingDB Entry DOI: 10.7270/Q24B30XJ
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036349 ((Z)-6-{2-[1-(3-Fluoro-phenoxy)-1-methyl-ethyl]-4-p...) Show SMILES CC(C)(Oc1cccc(F)c1)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1 Show InChI InChI=1S/C24H28FNO5/c1-24(2,31-20-11-6-10-19(25)14-20)23-29-16-18(8-4-3-5-12-21(27)28)22(30-23)17-9-7-13-26-15-17/h3-4,6-7,9-11,13-15,18,22-23H,5,8,12,16H2,1-2H3,(H,27,28)/b4-3-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036365 ((Z)-6-{2-[1-Methyl-1-(4-methyl-2-nitro-phenoxy)-et...) Show SMILES Cc1ccc(OC(C)(C)C2OCC(C\C=C/CCC(O)=O)C(O2)c2cccnc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C25H30N2O7/c1-17-11-12-21(20(14-17)27(30)31)34-25(2,3)24-32-16-19(8-5-4-6-10-22(28)29)23(33-24)18-9-7-13-26-15-18/h4-5,7,9,11-15,19,23-24H,6,8,10,16H2,1-3H3,(H,28,29)/b5-4-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036372 ((Z)-6-{2-[1-(2-Bromo-phenoxy)-1-methyl-ethyl]-4-py...) Show SMILES CC(C)(Oc1ccccc1Br)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1 Show InChI InChI=1S/C24H28BrNO5/c1-24(2,31-20-12-7-6-11-19(20)25)23-29-16-18(9-4-3-5-13-21(27)28)22(30-23)17-10-8-14-26-15-17/h3-4,6-8,10-12,14-15,18,22-23H,5,9,13,16H2,1-2H3,(H,27,28)/b4-3-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036357 ((Z)-6-{2-[1-Methyl-1-(4-methyl-2-nitro-phenylsulfa...) Show SMILES Cc1ccc(SC(C)(C)C2OCC(C\C=C/CCC(O)=O)C(O2)c2cccnc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C25H30N2O6S/c1-17-11-12-21(20(14-17)27(30)31)34-25(2,3)24-32-16-19(8-5-4-6-10-22(28)29)23(33-24)18-9-7-13-26-15-18/h4-5,7,9,11-15,19,23-24H,6,8,10,16H2,1-3H3,(H,28,29)/b5-4-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50185683 ((R)-N-(1-(3-(2,5-difluorophenyl)-3-(4-(methylsulfo...) Show SMILES CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cc(F)ccc2F)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C32H38F2N2O5S2/c1-4-36(32(37)21-23-5-10-27(11-6-23)42(2,38)39)26-15-18-35(19-16-26)20-17-29(30-22-25(33)9-14-31(30)34)24-7-12-28(13-8-24)43(3,40)41/h5-14,22,26,29H,4,15-21H2,1-3H3/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha to human recombinant CCR5 expressed in CHO cells				Bioorg Med Chem Lett 16: 3533-6 (2006) Article DOI: 10.1016/j.bmcl.2006.03.089 BindingDB Entry DOI: 10.7270/Q24B30XJ
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036385 ((Z)-6-{2-[1-(2-Hydroxy-phenoxy)-1-methyl-ethyl]-4-...) Show SMILES CC(C)(Oc1ccccc1O)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1 Show InChI InChI=1S/C24H29NO6/c1-24(2,31-20-12-7-6-11-19(20)26)23-29-16-18(9-4-3-5-13-21(27)28)22(30-23)17-10-8-14-25-15-17/h3-4,6-8,10-12,14-15,18,22-23,26H,5,9,13,16H2,1-2H3,(H,27,28)/b4-3-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036386 ((Z)-6-{2-[1-(4-Methanesulfonyl-phenoxy)-1-methyl-e...) Show SMILES CC(C)(Oc1ccc(cc1)S(C)(=O)=O)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1 Show InChI InChI=1S/C25H31NO7S/c1-25(2,33-20-11-13-21(14-12-20)34(3,29)30)24-31-17-19(8-5-4-6-10-22(27)28)23(32-24)18-9-7-15-26-16-18/h4-5,7,9,11-16,19,23-24H,6,8,10,17H2,1-3H3,(H,27,28)/b5-4-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036353 ((Z)-6-{2-[1-Methyl-1-(2-methylsulfanyl-phenoxy)-et...) Show SMILES CSc1ccccc1OC(C)(C)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1 Show InChI InChI=1S/C25H31NO5S/c1-25(2,31-20-12-7-8-13-21(20)32-3)24-29-17-19(10-5-4-6-14-22(27)28)23(30-24)18-11-9-15-26-16-18/h4-5,7-9,11-13,15-16,19,23-24H,6,10,14,17H2,1-3H3,(H,27,28)/b5-4-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036380 ((Z)-6-{2-[2-(2-Cyano-phenyl)-1,1-dimethyl-ethyl]-4...) Show SMILES CC(C)(Cc1ccccc1C#N)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1 Show InChI InChI=1S/C26H30N2O4/c1-26(2,15-19-9-6-7-10-20(19)16-27)25-31-18-22(11-4-3-5-13-23(29)30)24(32-25)21-12-8-14-28-17-21/h3-4,6-10,12,14,17,22,24-25H,5,11,13,15,18H2,1-2H3,(H,29,30)/b4-3-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036346 ((Z)-6-{2-[1-(4-Methoxy-2-nitro-phenoxy)-1-methyl-e...) Show SMILES COc1ccc(OC(C)(C)C2OCC(C\C=C/CCC(O)=O)C(O2)c2cccnc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C25H30N2O8/c1-25(2,35-21-12-11-19(32-3)14-20(21)27(30)31)24-33-16-18(8-5-4-6-10-22(28)29)23(34-24)17-9-7-13-26-15-17/h4-5,7,9,11-15,18,23-24H,6,8,10,16H2,1-3H3,(H,28,29)/b5-4-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036360 ((Z)-6-{2-[1-Methyl-1-(4-methylsulfanyl-phenoxy)-et...) Show SMILES CSc1ccc(OC(C)(C)C2OCC(C\C=C/CCC(O)=O)C(O2)c2cccnc2)cc1 Show InChI InChI=1S/C25H31NO5S/c1-25(2,31-20-11-13-21(32-3)14-12-20)24-29-17-19(8-5-4-6-10-22(27)28)23(30-24)18-9-7-15-26-16-18/h4-5,7,9,11-16,19,23-24H,6,8,10,17H2,1-3H3,(H,27,28)/b5-4-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036374 ((Z)-6-[2-(4-Nitro-phenyl)-4-pyridin-3-yl-[1,3]diox...) Show SMILES OC(=O)CC\C=C/CC1COC(OC1c1cccnc1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H22N2O6/c24-19(25)7-3-1-2-5-17-14-28-21(15-8-10-18(11-9-15)23(26)27)29-20(17)16-6-4-12-22-13-16/h1-2,4,6,8-13,17,20-21H,3,5,7,14H2,(H,24,25)/b2-1-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036367 ((Z)-6-{2-[1-(4-Methoxy-2-nitro-phenylsulfanyl)-1-m...) Show SMILES COc1ccc(SC(C)(C)C2OCC(C\C=C/CCC(O)=O)C(O2)c2cccnc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C25H30N2O7S/c1-25(2,35-21-12-11-19(32-3)14-20(21)27(30)31)24-33-16-18(8-5-4-6-10-22(28)29)23(34-24)17-9-7-13-26-15-17/h4-5,7,9,11-15,18,23-24H,6,8,10,16H2,1-3H3,(H,28,29)/b5-4-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036383 ((Z)-6-{2-[1-(2-Cyano-phenylsulfanyl)-1-methyl-ethy...) Show SMILES CC(C)(Sc1ccccc1C#N)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1 Show InChI InChI=1S/C25H28N2O4S/c1-25(2,32-21-12-7-6-9-18(21)15-26)24-30-17-20(10-4-3-5-13-22(28)29)23(31-24)19-11-8-14-27-16-19/h3-4,6-9,11-12,14,16,20,23-24H,5,10,13,17H2,1-2H3,(H,28,29)/b4-3-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036366 ((Z)-6-(2-Naphthalen-1-yl-4-pyridin-3-yl-[1,3]dioxa...) Show SMILES OC(=O)CC\C=C/CC1COC(OC1c1cccnc1)c1cccc2ccccc12 Show InChI InChI=1S/C25H25NO4/c27-23(28)14-3-1-2-9-20-17-29-25(30-24(20)19-11-7-15-26-16-19)22-13-6-10-18-8-4-5-12-21(18)22/h1-2,4-8,10-13,15-16,20,24-25H,3,9,14,17H2,(H,27,28)/b2-1-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50185680 ((S)-N-(1-(3-(3,5-difluorophenyl)-3-(4-(methylsulfo...) Show SMILES CCN(C1CCN(CC[C@@H](c2ccc(cc2)S(C)(=O)=O)c2cc(F)cc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C32H38F2N2O5S2/c1-4-36(32(37)19-23-5-9-29(10-6-23)42(2,38)39)28-13-16-35(17-14-28)18-15-31(25-20-26(33)22-27(34)21-25)24-7-11-30(12-8-24)43(3,40)41/h5-12,20-22,28,31H,4,13-19H2,1-3H3/t31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha to human recombinant CCR5 expressed in CHO cells				Bioorg Med Chem Lett 16: 3533-6 (2006) Article DOI: 10.1016/j.bmcl.2006.03.089 BindingDB Entry DOI: 10.7270/Q24B30XJ
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036390 ((Z)-6-[2-(1-Methyl-1-phenylsulfanyl-ethyl)-4-pyrid...) Show SMILES CC(C)(Sc1ccccc1)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1 Show InChI InChI=1S/C24H29NO4S/c1-24(2,30-20-12-6-4-7-13-20)23-28-17-19(10-5-3-8-14-21(26)27)22(29-23)18-11-9-15-25-16-18/h3-7,9,11-13,15-16,19,22-23H,8,10,14,17H2,1-2H3,(H,26,27)/b5-3-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036391 ((Z)-6-[2-(1-Benzenesulfonyl-1-methyl-ethyl)-4-pyri...) Show SMILES CC(C)(C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H29NO6S/c1-24(2,32(28,29)20-12-6-4-7-13-20)23-30-17-19(10-5-3-8-14-21(26)27)22(31-23)18-11-9-15-25-16-18/h3-7,9,11-13,15-16,19,22-23H,8,10,14,17H2,1-2H3,(H,26,27)/b5-3-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036381 ((Z)-6-{2-[1-(4-Methoxy-phenoxy)-1-methyl-ethyl]-4-...) Show SMILES COc1ccc(OC(C)(C)C2OCC(C\C=C/CCC(O)=O)C(O2)c2cccnc2)cc1 Show InChI InChI=1S/C25H31NO6/c1-25(2,32-21-13-11-20(29-3)12-14-21)24-30-17-19(8-5-4-6-10-22(27)28)23(31-24)18-9-7-15-26-16-18/h4-5,7,9,11-16,19,23-24H,6,8,10,17H2,1-3H3,(H,27,28)/b5-4-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036363 ((Z)-6-[2-(3,4-Dichloro-phenyl)-4-pyridin-3-yl-[1,3...) Show SMILES OC(=O)CC\C=C/CC1COC(OC1c1cccnc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H21Cl2NO4/c22-17-9-8-14(11-18(17)23)21-27-13-16(5-2-1-3-7-19(25)26)20(28-21)15-6-4-10-24-12-15/h1-2,4,6,8-12,16,20-21H,3,5,7,13H2,(H,25,26)/b2-1-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036376 ((Z)-6-[2-(2,4-Dichloro-phenyl)-4-pyridin-3-yl-[1,3...) Show SMILES OC(=O)CC\C=C/CC1COC(OC1c1cccnc1)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C21H21Cl2NO4/c22-16-8-9-17(18(23)11-16)21-27-13-15(5-2-1-3-7-19(25)26)20(28-21)14-6-4-10-24-12-14/h1-2,4,6,8-12,15,20-21H,3,5,7,13H2,(H,25,26)/b2-1-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036347 ((Z)-6-[4-Pyridin-3-yl-2-(4-trifluoromethyl-phenyl)...) Show SMILES OC(=O)CC\C=C/CC1COC(OC1c1cccnc1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H22F3NO4/c23-22(24,25)18-10-8-15(9-11-18)21-29-14-17(5-2-1-3-7-19(27)28)20(30-21)16-6-4-12-26-13-16/h1-2,4,6,8-13,17,20-21H,3,5,7,14H2,(H,27,28)/b2-1-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036388 ((Z)-6-{2-[1-(2-Fluoro-phenoxy)-1-methyl-ethyl]-4-p...) Show SMILES CC(C)(Oc1ccccc1F)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1 Show InChI InChI=1S/C24H28FNO5/c1-24(2,31-20-12-7-6-11-19(20)25)23-29-16-18(9-4-3-5-13-21(27)28)22(30-23)17-10-8-14-26-15-17/h3-4,6-8,10-12,14-15,18,22-23H,5,9,13,16H2,1-2H3,(H,27,28)/b4-3-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036359 ((Z)-6-{2-[2-(4-Fluoro-phenyl)-1,1-dimethyl-ethyl]-...) Show SMILES CC(C)(Cc1ccc(F)cc1)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1 Show InChI InChI=1S/C25H30FNO4/c1-25(2,15-18-10-12-21(26)13-11-18)24-30-17-20(7-4-3-5-9-22(28)29)23(31-24)19-8-6-14-27-16-19/h3-4,6,8,10-14,16,20,23-24H,5,7,9,15,17H2,1-2H3,(H,28,29)/b4-3-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036344 ((Z)-6-{2-[1-(2-Methanesulfonyl-phenoxy)-1-methyl-e...) Show SMILES CC(C)(Oc1ccccc1S(C)(=O)=O)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1 Show InChI InChI=1S/C25H31NO7S/c1-25(2,33-20-12-7-8-13-21(20)34(3,29)30)24-31-17-19(10-5-4-6-14-22(27)28)23(32-24)18-11-9-15-26-16-18/h4-5,7-9,11-13,15-16,19,23-24H,6,10,14,17H2,1-3H3,(H,27,28)/b5-4-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50036351 ((Z)-6-{2-[1-(2-Cyano-phenoxy)-1-methyl-ethyl]-4-py...) Show SMILES CC(C)(Oc1ccccc1C#N)C1OCC(C\C=C/CCC(O)=O)C(O1)c1cccnc1 Show InChI InChI=1S/C25H28N2O5/c1-25(2,32-21-12-7-6-9-18(21)15-26)24-30-17-20(10-4-3-5-13-22(28)29)23(31-24)19-11-8-14-27-16-19/h3-4,6-9,11-12,14,16,20,23-24H,5,10,13,17H2,1-2H3,(H,28,29)/b4-3-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro Inhibition of thromboxane synthase from human blood platelet microsomes				J Med Chem 38: 686-94 (1995) BindingDB Entry DOI: 10.7270/Q24Q7T2K
					More data for this Ligand-Target Pair

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