Compile Data Set for Download or QSAR

Found 99 hits with Last Name = 'durant' and Initial = 'f'   

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
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50042235 (2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4...) Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4| Show InChI InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description In vitro binding affinity towards Angiotensin II receptor, type 1 of human hepatoma cell line PLC-PRF-5				J Med Chem 45: 4794-8 (2002) BindingDB Entry DOI: 10.7270/Q2QC02TH
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50119657 (8-Butyl-7-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)C2(CCCC2)CC1=O Show InChI InChI=1S/C26H30N6O2/c1-2-3-16-31-23(33)17-26(14-6-7-15-26)25(34)32(31)18-19-10-12-20(13-11-19)21-8-4-5-9-22(21)24-27-29-30-28-24/h4-5,8-13H,2-3,6-7,14-18H2,1H3,(H,27,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description In vitro binding affinity towards Angiotensin II receptor, type 1 of human hepatoma cell line PLC-PRF-5				J Med Chem 45: 4794-8 (2002) BindingDB Entry DOI: 10.7270/Q2QC02TH
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50089990 (2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)C2(CCCC2)C1=O Show InChI InChI=1S/C25H28N6O2/c1-2-3-16-30-23(32)25(14-6-7-15-25)24(33)31(30)17-18-10-12-19(13-11-18)20-8-4-5-9-21(20)22-26-28-29-27-22/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description In vitro binding affinity towards Angiotensin II receptor, type 1 of human hepatoma cell line PLC-PRF-5				J Med Chem 45: 4794-8 (2002) BindingDB Entry DOI: 10.7270/Q2QC02TH
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50119658 (7-Butyl-8-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)CC2(CCCC2)C1=O Show InChI InChI=1S/C26H30N6O2/c1-2-3-16-31-25(34)26(14-6-7-15-26)17-23(33)32(31)18-19-10-12-20(13-11-19)21-8-4-5-9-22(21)24-27-29-30-28-24/h4-5,8-13H,2-3,6-7,14-18H2,1H3,(H,27,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description In vitro binding affinity towards Angiotensin II receptor, type 1 of human hepatoma cell line PLC-PRF-5				J Med Chem 45: 4794-8 (2002) BindingDB Entry DOI: 10.7270/Q2QC02TH
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50121688 (3-Methyl-8-(4,4,4-trifluoro-butoxy)-indeno[1,2-c]p...) Show SMILES Cc1cc2C(=O)c3ccc(OCCCC(F)(F)F)cc3-c2nn1 Show InChI InChI=1S/C16H13F3N2O2/c1-9-7-13-14(21-20-9)12-8-10(3-4-11(12)15(13)22)23-6-2-5-16(17,18)19/h3-4,7-8H,2,5-6H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0140	n/a	n/a	n/a	n/a	n/a	n/a
Facultés Universitaires Notre-Dame de la Paix Curated by ChEMBL					Assay Description Inhibitory concentration against Monoamine oxidase B was measured in baboon liver.				Bioorg Med Chem Lett 13: 69-73 (2002) BindingDB Entry DOI: 10.7270/Q2WM1CRP
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50121685 (5-(4,4,4-Trifluoro-butoxy)-indan-1-one | CHEMBL414...) Show SMILES FC(F)(F)CCCOc1ccc2C(=O)CCc2c1 Show InChI InChI=1S/C13H13F3O2/c14-13(15,16)6-1-7-18-10-3-4-11-9(8-10)2-5-12(11)17/h3-4,8H,1-2,5-7H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.318	n/a	n/a	n/a	n/a	n/a	n/a
Facultés Universitaires Notre-Dame de la Paix Curated by ChEMBL					Assay Description Inhibitory concentration against Monoamine oxidase B was measured				Bioorg Med Chem Lett 13: 69-73 (2002) BindingDB Entry DOI: 10.7270/Q2WM1CRP
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50290077 (CHEMBL73416 | N-[2-(4-Chloro-phenyl)-imidazo[1,2-a...) Show SMILES CCCC(=O)N(C)Cc1c(nc2ccccn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H20ClN3O/c1-3-6-18(24)22(2)13-16-19(14-8-10-15(20)11-9-14)21-17-7-4-5-12-23(16)17/h4-5,7-12H,3,6,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for in vitro functional inhibitory potency for prevention of ET-1 induced constriction of rat aortic rings (ETA receptors)				Bioorg Med Chem Lett 7: 2277-2282 (1997) Article DOI: 10.1016/S0960-894X(97)00404-6 BindingDB Entry DOI: 10.7270/Q2BK1CB0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50290077 (CHEMBL73416 | N-[2-(4-Chloro-phenyl)-imidazo[1,2-a...) Show SMILES CCCC(=O)N(C)Cc1c(nc2ccccn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H20ClN3O/c1-3-6-18(24)22(2)13-16-19(14-8-10-15(20)11-9-14)21-17-7-4-5-12-23(16)17/h4-5,7-12H,3,6,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro functional inhibitory potency prevention of ET-1 induced constriction of rat aortic rings (ETB receptors)				Bioorg Med Chem Lett 7: 2277-2282 (1997) Article DOI: 10.1016/S0960-894X(97)00404-6 BindingDB Entry DOI: 10.7270/Q2BK1CB0
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50098926 (1-(2-Cyclohexylamino-5-nitro-benzenesulfonyl)-3-pe...) Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1NC1CCCCC1)[N+]([O-])=O Show InChI InChI=1S/C18H28N4O5S/c1-2-3-7-12-19-18(23)21-28(26,27)17-13-15(22(24)25)10-11-16(17)20-14-8-5-4-6-9-14/h10-11,13-14,20H,2-9,12H2,1H3,(H2,19,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Facultés Universitaires N.-D. de la Paix Curated by ChEMBL					Assay Description In vitro inhibitory concentration of compound against thromboxane A2 receptor				Bioorg Med Chem Lett 11: 1019-22 (2001) BindingDB Entry DOI: 10.7270/Q2PR7V80
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50029815 (3-[5-(4-Benzyloxy-phenyl)-tetrazol-2-yl]-propionit...) Show SMILES N#CCCn1nnc(n1)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C17H15N5O/c18-11-4-12-22-20-17(19-21-22)15-7-9-16(10-8-15)23-13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2	PDB UniProtKB/SwissProt 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
Facultés Universitaires Notre-Dame de la Paix Curated by ChEMBL					Assay Description Inhibitory concentration against Monoamine oxidase B was measured in baboon liver.				Bioorg Med Chem Lett 13: 69-73 (2002) BindingDB Entry DOI: 10.7270/Q2WM1CRP
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50029825 (3-[5-(4-Benzyloxy-phenyl)-2-oxo-[1,3,4]oxadiazol-3...) Show SMILES O=c1oc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C18H15N3O3/c19-11-4-12-21-18(22)24-17(20-21)15-7-9-16(10-8-15)23-13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Facultés Universitaires Notre-Dame de la Paix Curated by ChEMBL					Assay Description Inhibitory concentration against Monoamine oxidase B was measured in baboon liver.				Bioorg Med Chem Lett 13: 69-73 (2002) BindingDB Entry DOI: 10.7270/Q2WM1CRP
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM50290077 (CHEMBL73416 | N-[2-(4-Chloro-phenyl)-imidazo[1,2-a...) Show SMILES CCCC(=O)N(C)Cc1c(nc2ccccn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H20ClN3O/c1-3-6-18(24)22(2)13-16-19(14-8-10-15(20)11-9-14)21-17-7-4-5-12-23(16)17/h4-5,7-12H,3,6,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Receptor binding affinity was determined in a radioligand binding assay against [125I]ET1 with recombinant human ETA receptor, expressed in baculovir...				Bioorg Med Chem Lett 7: 2277-2282 (1997) Article DOI: 10.1016/S0960-894X(97)00404-6 BindingDB Entry DOI: 10.7270/Q2BK1CB0
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50075624 (6-{3-[1-(tert-butylamino)-2-cyano-(E)-1-iminomethy...) Show SMILES CC(C)(C)NC(Nc1cccc(c1)C(=CCCCC(O)=O)c1cccnc1)=NC#N |w:27.29,14.15| Show InChI InChI=1S/C23H27N5O2/c1-23(2,3)28-22(26-16-24)27-19-10-6-8-17(14-19)20(11-4-5-12-21(29)30)18-9-7-13-25-15-18/h6-11,13-15H,4-5,12H2,1-3H3,(H,29,30)(H2,26,27,28)	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
Facultés Universitaires N.-D. de la Paix Curated by ChEMBL					Assay Description In vitro inhibitory concentration of compound against thromboxane A2 synthase				Bioorg Med Chem Lett 11: 1019-22 (2001) BindingDB Entry DOI: 10.7270/Q2PR7V80
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50029838 (3-[5-(4-Benzyloxy-phenyl)-2-thioxo-[1,3,4]oxadiazo...) Show SMILES S=c1oc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C18H15N3O2S/c19-11-4-12-21-18(24)23-17(20-21)15-7-9-16(10-8-15)22-13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Facultés Universitaires Notre-Dame de la Paix Curated by ChEMBL					Assay Description Inhibitory concentration against Monoamine oxidase B was measured in baboon liver.				Bioorg Med Chem Lett 13: 69-73 (2002) BindingDB Entry DOI: 10.7270/Q2WM1CRP
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM50290077 (CHEMBL73416 | N-[2-(4-Chloro-phenyl)-imidazo[1,2-a...) Show SMILES CCCC(=O)N(C)Cc1c(nc2ccccn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H20ClN3O/c1-3-6-18(24)22(2)13-16-19(14-8-10-15(20)11-9-14)21-17-7-4-5-12-23(16)17/h4-5,7-12H,3,6,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]-Flumazenil binding to recombinant GABA-A receptor alpha-5 subunit in spinal cord				Bioorg Med Chem Lett 7: 2277-2282 (1997) Article DOI: 10.1016/S0960-894X(97)00404-6 BindingDB Entry DOI: 10.7270/Q2BK1CB0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50047034 (3-[5-(4-Benzyloxy-phenyl)-2-oxo-[1,3,4]thiadiazol-...) Show SMILES O=c1sc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C18H15N3O2S/c19-11-4-12-21-18(22)24-17(20-21)15-7-9-16(10-8-15)23-13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Facultés Universitaires Notre-Dame de la Paix Curated by ChEMBL					Assay Description Inhibitory concentration against Monoamine oxidase B was measured in baboon liver.				Bioorg Med Chem Lett 13: 69-73 (2002) BindingDB Entry DOI: 10.7270/Q2WM1CRP
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50121686 (5-(4,4,4-Trifluoro-butoxy)-indan-1,2,3-trione | CH...) Show SMILES FC(F)(F)CCCOc1ccc2c(c1)c(=O)c(=O)c2=O Show InChI InChI=1S/C13H9F3O4/c14-13(15,16)4-1-5-20-7-2-3-8-9(6-7)11(18)12(19)10(8)17/h2-3,6H,1,4-5H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Facultés Universitaires Notre-Dame de la Paix Curated by ChEMBL					Assay Description Inhibitory concentration against Monoamine oxidase B was measured				Bioorg Med Chem Lett 13: 69-73 (2002) BindingDB Entry DOI: 10.7270/Q2WM1CRP
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50075624 (6-{3-[1-(tert-butylamino)-2-cyano-(E)-1-iminomethy...) Show SMILES CC(C)(C)NC(Nc1cccc(c1)C(=CCCCC(O)=O)c1cccnc1)=NC#N |w:27.29,14.15| Show InChI InChI=1S/C23H27N5O2/c1-23(2,3)28-22(26-16-24)27-19-10-6-8-17(14-19)20(11-4-5-12-21(29)30)18-9-7-13-25-15-18/h6-11,13-15H,4-5,12H2,1-3H3,(H,29,30)(H2,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Facultés Universitaires N.-D. de la Paix Curated by ChEMBL					Assay Description In vitro inhibitory concentration of compound against thromboxane A2 receptor				Bioorg Med Chem Lett 11: 1019-22 (2001) BindingDB Entry DOI: 10.7270/Q2PR7V80
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]-Flumazenil binding to recombinant GABA-A receptor alpha-1 subunit in cerebellum				Bioorg Med Chem Lett 7: 2277-2282 (1997) Article DOI: 10.1016/S0960-894X(97)00404-6 BindingDB Entry DOI: 10.7270/Q2BK1CB0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50047022 (3-[5-(4-Benzyloxy-phenyl)-2-thioxo-[1,3,4]thiadiaz...) Show SMILES S=c1sc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C18H15N3OS2/c19-11-4-12-21-18(23)24-17(20-21)15-7-9-16(10-8-15)22-13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Facultés Universitaires Notre-Dame de la Paix Curated by ChEMBL					Assay Description Inhibitory concentration against Monoamine oxidase B was measured in baboon liver.				Bioorg Med Chem Lett 13: 69-73 (2002) BindingDB Entry DOI: 10.7270/Q2WM1CRP
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50121687 (3-[2-(4-Benzyloxy-phenyl)-6-oxo-5,6-dihydro-[1,3,4...) Show SMILES O=C1CN(CCC#N)N=C(O1)c1ccc(OCc2ccccc2)cc1 |c:8| Show InChI InChI=1S/C19H17N3O3/c20-11-4-12-22-13-18(23)25-19(21-22)16-7-9-17(10-8-16)24-14-15-5-2-1-3-6-15/h1-3,5-10H,4,12-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Facultés Universitaires Notre-Dame de la Paix Curated by ChEMBL					Assay Description Inhibitory concentration against Monoamine oxidase B was measured in baboon liver.				Bioorg Med Chem Lett 13: 69-73 (2002) BindingDB Entry DOI: 10.7270/Q2WM1CRP
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50121689 (3-[2-Acetyl-4-(3-trifluoromethyl-benzyloxy)-phenox...) Show SMILES COCC(COc1ccc(OCc2cccc(c2)C(F)(F)F)cc1C(C)=O)C(=O)OC Show InChI InChI=1S/C22H23F3O6/c1-14(26)19-10-18(30-11-15-5-4-6-17(9-15)22(23,24)25)7-8-20(19)31-13-16(12-28-2)21(27)29-3/h4-10,16H,11-13H2,1-3H3	PDB UniProtKB/SwissProt 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
Facultés Universitaires Notre-Dame de la Paix Curated by ChEMBL					Assay Description Inhibitory concentration against Monoamine oxidase B was measured in baboon liver.				Bioorg Med Chem Lett 13: 69-73 (2002) BindingDB Entry DOI: 10.7270/Q2WM1CRP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50156581 (3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)pheno...) Show SMILES COc1ccc(cc1)-n1nc(COc2cc(F)cc(c2)C2(CCOCC2)OC)cc1-c1ccccc1 Show InChI InChI=1S/C29H29FN2O4/c1-33-26-10-8-25(9-11-26)32-28(21-6-4-3-5-7-21)19-24(31-32)20-36-27-17-22(16-23(30)18-27)29(34-2)12-14-35-15-13-29/h3-11,16-19H,12-15,20H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX1 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50110484 (3-((3-fluoro-5-(1-methoxycyclohexyl)phenoxy)methyl...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C29H29FN2O5S/c1-35-29(12-14-36-15-13-29)22-16-23(30)18-26(17-22)37-20-24-19-28(21-6-4-3-5-7-21)32(31-24)25-8-10-27(11-9-25)38(2,33)34/h3-11,16-19H,12-15,20H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for in vitro functional inhibitory potency for prevention of ET-1 induced constriction of rat aortic rings (ETA receptors)				Bioorg Med Chem Lett 7: 2277-2282 (1997) Article DOI: 10.1016/S0960-894X(97)00404-6 BindingDB Entry DOI: 10.7270/Q2BK1CB0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50000829 (6-((3-fluoro-5-(4-methoxytetrahydro-2H-pyran-4-yl)...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2ccc3n(C)c(=O)ccc3c2)c1 Show InChI InChI=1S/C23H24FNO4/c1-25-21-5-3-16(11-17(21)4-6-22(25)26)15-29-20-13-18(12-19(24)14-20)23(27-2)7-9-28-10-8-23/h3-6,11-14H,7-10,15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50031048 (3-(4-(trifluoromethyl)phenyl)-5H-indeno[1,2-c]pyri...) Show SMILES FC(F)(F)c1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1 Show InChI InChI=1S/C18H9F3N2O/c19-18(20,21)11-7-5-10(6-8-11)15-9-14-16(23-22-15)12-3-1-2-4-13(12)17(14)24/h1-9H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Facultés Universitaires Notre-Dame de la Paix Curated by ChEMBL					Assay Description Inhibitory concentration against Monoamine oxidase B was measured in baboon liver.				Bioorg Med Chem Lett 13: 69-73 (2002) BindingDB Entry DOI: 10.7270/Q2WM1CRP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156577 (1-(4-aminosulfonylphenyl)-3-[3-fluoro-5-(4-methoxy...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(N)(=O)=O)c1 Show InChI InChI=1S/C28H28FN3O5S/c1-35-28(11-13-36-14-12-28)21-15-22(29)17-25(16-21)37-19-23-18-27(20-5-3-2-4-6-20)32(31-23)24-7-9-26(10-8-24)38(30,33)34/h2-10,15-18H,11-14,19H2,1H3,(H2,30,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for in vitro functional inhibitory potency for prevention of sarafotoxin S6c induced constriction of rat tracheal rings (ETB r...				Bioorg Med Chem Lett 7: 2277-2282 (1997) Article DOI: 10.1016/S0960-894X(97)00404-6 BindingDB Entry DOI: 10.7270/Q2BK1CB0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM19163 (3-methyl-5H-indeno[1,2-c]pyridazin-5-one | Aza-het...) Show SMILES Cc1cc2C(=O)c3ccccc3-c2nn1 Show InChI InChI=1S/C12H8N2O/c1-7-6-10-11(14-13-7)8-4-2-3-5-9(8)12(10)15/h2-6H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Facultés Universitaires Notre-Dame de la Paix Curated by ChEMBL					Assay Description Inhibitory concentration against Monoamine oxidase B was measured				Bioorg Med Chem Lett 13: 69-73 (2002) BindingDB Entry DOI: 10.7270/Q2WM1CRP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156584 (1-(4-methanesulfonylphenyl)-3-[(3,4,5-trimethoxy)p...) Show SMILES COc1cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)cc(OC)c1OC Show InChI InChI=1S/C26H26N2O6S/c1-31-24-15-21(16-25(32-2)26(24)33-3)34-17-19-14-23(18-8-6-5-7-9-18)28(27-19)20-10-12-22(13-11-20)35(4,29)30/h5-16H,17H2,1-4H3	PDB MMDB NCI pathway 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	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156581 (3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)pheno...) Show SMILES COc1ccc(cc1)-n1nc(COc2cc(F)cc(c2)C2(CCOCC2)OC)cc1-c1ccccc1 Show InChI InChI=1S/C29H29FN2O4/c1-33-26-10-8-25(9-11-26)32-28(21-6-4-3-5-7-21)19-24(31-32)20-36-27-17-22(16-23(30)18-27)29(34-2)12-14-35-15-13-29/h3-11,16-19H,12-15,20H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50110484 (3-((3-fluoro-5-(1-methoxycyclohexyl)phenoxy)methyl...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C29H29FN2O5S/c1-35-29(12-14-36-15-13-29)22-16-23(30)18-26(17-22)37-20-24-19-28(21-6-4-3-5-7-21)32(31-24)25-8-10-27(11-9-25)38(2,33)34/h3-11,16-19H,12-15,20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156594 (3-[(3-fluoro-5-methoxy)phenoxymethyl]-1-(4-methane...) Show SMILES COc1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C24H21FN2O4S/c1-30-21-12-18(25)13-22(15-21)31-16-19-14-24(17-6-4-3-5-7-17)27(26-19)20-8-10-23(11-9-20)32(2,28)29/h3-15H,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50120981 (1,1,1-trifluoro-N-(3-phenoxypyridin-4-yl)methanesu...) Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1Oc1ccccc1 Show InChI InChI=1S/C12H9F3N2O3S/c13-12(14,15)21(18,19)17-10-6-7-16-8-11(10)20-9-4-2-1-3-5-9/h1-8H,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Université de Liège Curated by ChEMBL					Assay Description The inhibitory activity against cyclooxygenase Prostaglandin G/H synthase 2 (COX-2) measured as PGE-2 production after blood coagulation using human ...				J Med Chem 45: 5182-5 (2002) BindingDB Entry DOI: 10.7270/Q2WS8SM7
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156580 (3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)pheno...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(C)c(C)c2)c1 Show InChI InChI=1S/C30H31FN2O3/c1-21-9-10-27(15-22(21)2)33-29(23-7-5-4-6-8-23)19-26(32-33)20-36-28-17-24(16-25(31)18-28)30(34-3)11-13-35-14-12-30/h4-10,15-19H,11-14,20H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2 (Rattus norvegicus (Rat))	BDBM24182 (4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...) Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Neurochimie du CNRS Curated by ChEMBL					Assay Description Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor				J Med Chem 34: 1307-13 (1991) BindingDB Entry DOI: 10.7270/Q27D2VRW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156590 (1-(4-methanesulfonylphenyl)-3-[(3,4-methylenedioxy...) Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(COc2ccc3OCOc3c2)cc1-c1ccccc1 Show InChI InChI=1S/C24H20N2O5S/c1-32(27,28)21-10-7-19(8-11-21)26-22(17-5-3-2-4-6-17)13-18(25-26)15-29-20-9-12-23-24(14-20)31-16-30-23/h2-14H,15-16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50156585 (3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)pheno...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(F)cc2)c1 Show InChI InChI=1S/C28H26F2N2O3/c1-33-28(11-13-34-14-12-28)21-15-23(30)17-26(16-21)35-19-24-18-27(20-5-3-2-4-6-20)32(31-24)25-9-7-22(29)8-10-25/h2-10,15-18H,11-14,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156587 (3-[(5-cyano-3-fluoro)phenoxymethyl]-1-(4-methanesu...) Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(COc2cc(F)cc(c2)C#N)cc1-c1ccccc1 Show InChI InChI=1S/C24H18FN3O3S/c1-32(29,30)23-9-7-21(8-10-23)28-24(18-5-3-2-4-6-18)14-20(27-28)16-31-22-12-17(15-26)11-19(25)13-22/h2-14H,16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50156582 (3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)pheno...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccccc2)c1 Show InChI InChI=1S/C28H27FN2O3/c1-32-28(12-14-33-15-13-28)22-16-23(29)18-26(17-22)34-20-24-19-27(21-8-4-2-5-9-21)31(30-24)25-10-6-3-7-11-25/h2-11,16-19H,12-15,20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156582 (3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)pheno...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccccc2)c1 Show InChI InChI=1S/C28H27FN2O3/c1-32-28(12-14-33-15-13-28)22-16-23(29)18-26(17-22)34-20-24-19-27(21-8-4-2-5-9-21)31(30-24)25-10-6-3-7-11-25/h2-11,16-19H,12-15,20H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156583 (1-(4-methanesulfonylphenyl)-3-[(3,4-dimethoxy)phen...) Show SMILES COc1ccc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)cc1OC Show InChI InChI=1S/C25H24N2O5S/c1-30-24-14-11-21(16-25(24)31-2)32-17-19-15-23(18-7-5-4-6-8-18)27(26-19)20-9-12-22(13-10-20)33(3,28)29/h4-16H,17H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156579 (1-(3,4-dichlorophenyl)-3-[3-fluoro-5-(4-methoxytet...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C28H25Cl2FN2O3/c1-34-28(9-11-35-12-10-28)20-13-21(31)15-24(14-20)36-18-22-16-27(19-5-3-2-4-6-19)33(32-22)23-7-8-25(29)26(30)17-23/h2-8,13-17H,9-12,18H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50156586 (3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)pheno...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(C)cc2)c1 Show InChI InChI=1S/C29H29FN2O3/c1-21-8-10-26(11-9-21)32-28(22-6-4-3-5-7-22)19-25(31-32)20-35-27-17-23(16-24(30)18-27)29(33-2)12-14-34-15-13-29/h3-11,16-19H,12-15,20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50156577 (1-(4-aminosulfonylphenyl)-3-[3-fluoro-5-(4-methoxy...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(N)(=O)=O)c1 Show InChI InChI=1S/C28H28FN3O5S/c1-35-28(11-13-36-14-12-28)21-15-22(29)17-25(16-21)37-19-23-18-27(20-5-3-2-4-6-20)32(31-23)24-7-9-26(10-8-24)38(30,33)34/h2-10,15-18H,11-14,19H2,1H3,(H2,30,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156591 (1-(4-methanesulfonylphenyl)-3-[(3-nitro)phenoxymet...) Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(COc2cccc(c2)[N+]([O-])=O)cc1-c1ccccc1 Show InChI InChI=1S/C23H19N3O5S/c1-32(29,30)22-12-10-19(11-13-22)25-23(17-6-3-2-4-7-17)14-18(24-25)16-31-21-9-5-8-20(15-21)26(27)28/h2-15H,16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50156580 (3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)pheno...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(C)c(C)c2)c1 Show InChI InChI=1S/C30H31FN2O3/c1-21-9-10-27(15-22(21)2)33-29(23-7-5-4-6-8-23)19-26(32-33)20-36-28-17-24(16-25(31)18-28)30(34-3)11-13-35-14-12-30/h4-10,15-19H,11-14,20H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50156581 (3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)pheno...) Show SMILES COc1ccc(cc1)-n1nc(COc2cc(F)cc(c2)C2(CCOCC2)OC)cc1-c1ccccc1 Show InChI InChI=1S/C29H29FN2O4/c1-33-26-10-8-25(9-11-26)32-28(21-6-4-3-5-7-21)19-24(31-32)20-36-27-17-22(16-23(30)18-27)29(34-2)12-14-35-15-13-29/h3-11,16-19H,12-15,20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair

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