Compile Data Set for Download or QSAR

Found 71 hits with Last Name = 'moser' and Initial = 'd'   

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
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50502344 (Talinolol) Show SMILES CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1 Show InChI InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University of Frankfurt Curated by ChEMBL					Assay Description Binding affinity to beta1 adrenergic receptor (unknown origin) by radioligand binding assay				ACS Med Chem Lett 10: 899-903 (2019) Article DOI: 10.1021/acsmedchemlett.9b00075 BindingDB Entry DOI: 10.7270/Q2R214M7
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50502344 (Talinolol) Show SMILES CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1 Show InChI InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University of Frankfurt Curated by ChEMBL					Assay Description Binding affinity to beta2 adrenergic receptor (unknown origin) by radioligand binding assay				ACS Med Chem Lett 10: 899-903 (2019) Article DOI: 10.1021/acsmedchemlett.9b00075 BindingDB Entry DOI: 10.7270/Q2R214M7
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50444531 (CHEMBL3099680) Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 |TLB:21:22:25.20.19:26,THB:21:20:27.22.23:26,19:20:23:27.18.26,19:18:23:21.25.20,16:18:23:21.25.20| Show InChI InChI=1S/C26H27N3O2S/c30-22-7-5-21(6-8-22)28-25-29-23(15-32-25)19-1-3-20(4-2-19)27-24(31)26-12-16-9-17(13-26)11-18(10-16)14-26/h1-8,15-18,30H,9-14H2,(H,27,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Inhibition of recombinant 5-lipoxygenase (unknown origin) expressed in Escherichia coli BL21(DE3) using arachidonic acid as substrate incubated for 1...				ACS Med Chem Lett 4: 1169-72 (2013) Article DOI: 10.1021/ml4002562 BindingDB Entry DOI: 10.7270/Q228092M
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50502345 (CHEMBL4566250) Show SMILES CC(C)(C)N1CCOC(COc2ccc(NC(=O)NC3CCCCC3)cc2)C1 Show InChI InChI=1S/C22H35N3O3/c1-22(2,3)25-13-14-27-20(15-25)16-28-19-11-9-18(10-12-19)24-21(26)23-17-7-5-4-6-8-17/h9-12,17,20H,4-8,13-16H2,1-3H3,(H2,23,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University of Frankfurt Curated by ChEMBL					Assay Description Inhibition of recombinant human full length soluble epoxide hydrolase (1 to 555 residues) expressed in Escherichia coli BL21(DE3) using non-fluoresce...				ACS Med Chem Lett 10: 899-903 (2019) Article DOI: 10.1021/acsmedchemlett.9b00075 BindingDB Entry DOI: 10.7270/Q2R214M7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM25737 (12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...) Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27| Show InChI InChI=1S/C23H40N2O3/c26-21(27)10-8-6-4-2-1-3-5-7-9-11-24-22(28)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-20H,1-17H2,(H,26,27)(H2,24,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Inhibition of sEH using (3-Phenyl-oxiranyl)-acetic acid cyano-(6-methoxy-naphthalen-2-yl)-methyl ester) as substrate incubated for 15 mins prior to s...				Bioorg Med Chem Lett 22: 6762-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.066 BindingDB Entry DOI: 10.7270/Q2028SNC
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50444531 (CHEMBL3099680) Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 |TLB:21:22:25.20.19:26,THB:21:20:27.22.23:26,19:20:23:27.18.26,19:18:23:21.25.20,16:18:23:21.25.20| Show InChI InChI=1S/C26H27N3O2S/c30-22-7-5-21(6-8-22)28-25-29-23(15-32-25)19-1-3-20(4-2-19)27-24(31)26-12-16-9-17(13-26)11-18(10-16)14-26/h1-8,15-18,30H,9-14H2,(H,27,31)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Inhibition of recombinant soluble epoxide hydrolase (unknown origin) using PHOME as substrate incubated 15 mins prior to substrate addition measured ...				ACS Med Chem Lett 4: 1169-72 (2013) Article DOI: 10.1021/ml4002562 BindingDB Entry DOI: 10.7270/Q228092M
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50384785 (CHEMBL2037376) Show SMILES Cn1nnc2cc(NC(=O)NCCC3=CCCCC3)ccc12 |t:13| Show InChI InChI=1S/C16H21N5O/c1-21-15-8-7-13(11-14(15)19-20-21)18-16(22)17-10-9-12-5-3-2-4-6-12/h5,7-8,11H,2-4,6,9-10H2,1H3,(H2,17,18,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of soluble epoxide hydrolase using (3-Phenyl-oxiranyl)-acetic acid cyano-(6-methoxy-naphthalen-2-yl)-methyl ester) as substrate incubated ...				ACS Med Chem Lett 3: 155-158 (2012) Article DOI: 10.1021/ml200286e BindingDB Entry DOI: 10.7270/Q2J10468
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50384786 (CHEMBL1364973) Show SMILES COc1ccc(NC(=O)c2cccc(c2)-n2cnnn2)cc1 Show InChI InChI=1S/C15H13N5O2/c1-22-14-7-5-12(6-8-14)17-15(21)11-3-2-4-13(9-11)20-10-16-18-19-20/h2-10H,1H3,(H,17,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of soluble epoxide hydrolase using (3-Phenyl-oxiranyl)-acetic acid cyano-(6-methoxy-naphthalen-2-yl)-methyl ester) as substrate incubated ...				ACS Med Chem Lett 3: 155-158 (2012) Article DOI: 10.1021/ml200286e BindingDB Entry DOI: 10.7270/Q2J10468
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50384782 (CHEMBL2037373) Show SMILES CN(C)c1ccc(cc1)-n1nc2ccc3ccccc3c2n1 Show InChI InChI=1S/C18H16N4/c1-21(2)14-8-10-15(11-9-14)22-19-17-12-7-13-5-3-4-6-16(13)18(17)20-22/h3-12H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant 5-lipooxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate incubated for 15 mins prior to subst...				ACS Med Chem Lett 3: 155-158 (2012) Article DOI: 10.1021/ml200286e BindingDB Entry DOI: 10.7270/Q2J10468
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50384783 (CHEMBL2037374) Show SMILES COc1ccc(cc1OC)-c1nc2cc(C)ccc2o1 Show InChI InChI=1S/C16H15NO3/c1-10-4-6-13-12(8-10)17-16(20-13)11-5-7-14(18-2)15(9-11)19-3/h4-9H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant 5-lipooxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate incubated for 15 mins prior to subst...				ACS Med Chem Lett 3: 155-158 (2012) Article DOI: 10.1021/ml200286e BindingDB Entry DOI: 10.7270/Q2J10468
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50502344 (Talinolol) Show SMILES CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1 Show InChI InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University of Frankfurt Curated by ChEMBL					Assay Description Inhibition of recombinant human full length soluble epoxide hydrolase (1 to 555 residues) expressed in Escherichia coli BL21(DE3) using non-fluoresce...				ACS Med Chem Lett 10: 899-903 (2019) Article DOI: 10.1021/acsmedchemlett.9b00075 BindingDB Entry DOI: 10.7270/Q2R214M7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50444538 (CHEMBL1313977) Show SMILES O=C(NCCOc1ccccc1)C1CCCCC1 Show InChI InChI=1S/C15H21NO2/c17-15(13-7-3-1-4-8-13)16-11-12-18-14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,16,17)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Inhibition of recombinant soluble epoxide hydrolase (unknown origin) using PHOME as substrate incubated 15 mins prior to substrate addition measured ...				ACS Med Chem Lett 4: 1169-72 (2013) Article DOI: 10.1021/ml4002562 BindingDB Entry DOI: 10.7270/Q228092M
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50394028 (CHEMBL2158536) Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)NCCCOC(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C16H16ClN3O6S/c17-12-4-1-5-13(10-12)19-16(21)26-9-3-8-18-27(24,25)15-7-2-6-14(11-15)20(22)23/h1-2,4-7,10-11,18H,3,8-9H2,(H,19,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Inhibition of sEH using (3-Phenyl-oxiranyl)-acetic acid cyano-(6-methoxy-naphthalen-2-yl)-methyl ester) as substrate incubated for 15 mins prior to s...				Bioorg Med Chem Lett 22: 6762-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.066 BindingDB Entry DOI: 10.7270/Q2028SNC
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50384784 (CHEMBL2037375) Show SMILES COc1ccc(cc1OC)-c1nc2ccc(C)cc2[nH]1 Show InChI InChI=1S/C16H16N2O2/c1-10-4-6-12-13(8-10)18-16(17-12)11-5-7-14(19-2)15(9-11)20-3/h4-9H,1-3H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of soluble epoxide hydrolase using (3-Phenyl-oxiranyl)-acetic acid cyano-(6-methoxy-naphthalen-2-yl)-methyl ester) as substrate incubated ...				ACS Med Chem Lett 3: 155-158 (2012) Article DOI: 10.1021/ml200286e BindingDB Entry DOI: 10.7270/Q2J10468
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50394029 (CHEMBL2158537) Show SMILES Oc1cccc(NC(=O)OCC2c3ccccc3-c3ccccc23)c1 Show InChI InChI=1S/C21H17NO3/c23-15-7-5-6-14(12-15)22-21(24)25-13-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-12,20,23H,13H2,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Inhibition of sEH using (3-Phenyl-oxiranyl)-acetic acid cyano-(6-methoxy-naphthalen-2-yl)-methyl ester) as substrate incubated for 15 mins prior to s...				Bioorg Med Chem Lett 22: 6762-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.066 BindingDB Entry DOI: 10.7270/Q2028SNC
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50444532 (CHEMBL3099679) Show SMILES c1coc(c1)-c1nc2ccccc2o1 Show InChI InChI=1S/C11H7NO2/c1-2-5-9-8(4-1)12-11(14-9)10-6-3-7-13-10/h1-7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Inhibition of recombinant 5-lipoxygenase (unknown origin) expressed in Escherichia coli BL21(DE3) using arachidonic acid as substrate incubated for 1...				ACS Med Chem Lett 4: 1169-72 (2013) Article DOI: 10.1021/ml4002562 BindingDB Entry DOI: 10.7270/Q228092M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50384779 (CHEMBL1330331) Show SMILES COc1cccc(CNc2nc3ccccc3n2C)c1O Show InChI InChI=1S/C16H17N3O2/c1-19-13-8-4-3-7-12(13)18-16(19)17-10-11-6-5-9-14(21-2)15(11)20/h3-9,20H,10H2,1-2H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant 5-lipooxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate incubated for 15 mins prior to subst...				ACS Med Chem Lett 3: 155-158 (2012) Article DOI: 10.1021/ml200286e BindingDB Entry DOI: 10.7270/Q2J10468
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50444534 (CHEMBL3099594) Show SMILES [O-][N+](=O)c1ccc(s1)-c1ncc2ccccn12 Show InChI InChI=1S/C11H7N3O2S/c15-14(16)10-5-4-9(17-10)11-12-7-8-3-1-2-6-13(8)11/h1-7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Inhibition of recombinant 5-lipoxygenase (unknown origin) expressed in Escherichia coli BL21(DE3) using arachidonic acid as substrate incubated for 1...				ACS Med Chem Lett 4: 1169-72 (2013) Article DOI: 10.1021/ml4002562 BindingDB Entry DOI: 10.7270/Q228092M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50384781 (CHEMBL2037345) Show SMILES COc1ccc(CN=Nc2nc3ccccc3[nH]2)cc1OC |w:7.6| Show InChI InChI=1S/C16H16N4O2/c1-21-14-8-7-11(9-15(14)22-2)10-17-20-16-18-12-5-3-4-6-13(12)19-16/h3-9H,10H2,1-2H3,(H,18,19)	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	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant 5-lipooxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate incubated for 15 mins prior to subst...				ACS Med Chem Lett 3: 155-158 (2012) Article DOI: 10.1021/ml200286e BindingDB Entry DOI: 10.7270/Q2J10468
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50384780 (CHEMBL2037372) Show SMILES CC(C)CC(=O)Nc1nc-2c(CCc3ccccc-23)s1 Show InChI InChI=1S/C16H18N2OS/c1-10(2)9-14(19)17-16-18-15-12-6-4-3-5-11(12)7-8-13(15)20-16/h3-6,10H,7-9H2,1-2H3,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant 5-lipooxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate incubated for 15 mins prior to subst...				ACS Med Chem Lett 3: 155-158 (2012) Article DOI: 10.1021/ml200286e BindingDB Entry DOI: 10.7270/Q2J10468
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50444537 (CHEMBL3099590) Show SMILES Nc1ccc2nc([nH]c2c1)-c1ccco1 Show InChI InChI=1S/C11H9N3O/c12-7-3-4-8-9(6-7)14-11(13-8)10-2-1-5-15-10/h1-6H,12H2,(H,13,14)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Inhibition of recombinant soluble epoxide hydrolase (unknown origin) using PHOME as substrate incubated 15 mins prior to substrate addition measured ...				ACS Med Chem Lett 4: 1169-72 (2013) Article DOI: 10.1021/ml4002562 BindingDB Entry DOI: 10.7270/Q228092M
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50384787 (CHEMBL2037377) Show SMILES COc1ccc(CC(=O)Nc2ccc(C)cc2)cc1OC Show InChI InChI=1S/C17H19NO3/c1-12-4-7-14(8-5-12)18-17(19)11-13-6-9-15(20-2)16(10-13)21-3/h4-10H,11H2,1-3H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of soluble epoxide hydrolase using (3-Phenyl-oxiranyl)-acetic acid cyano-(6-methoxy-naphthalen-2-yl)-methyl ester) as substrate incubated ...				ACS Med Chem Lett 3: 155-158 (2012) Article DOI: 10.1021/ml200286e BindingDB Entry DOI: 10.7270/Q2J10468
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50394030 (CHEMBL2158540) Show SMILES O=C(NCCCNc1ncc(-c2ccncc2)c(n1)C1CC1)c1ccccn1 Show InChI InChI=1S/C21H22N6O/c28-20(18-4-1-2-9-23-18)24-10-3-11-25-21-26-14-17(15-7-12-22-13-8-15)19(27-21)16-5-6-16/h1-2,4,7-9,12-14,16H,3,5-6,10-11H2,(H,24,28)(H,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Inhibition of sEH using (3-Phenyl-oxiranyl)-acetic acid cyano-(6-methoxy-naphthalen-2-yl)-methyl ester) as substrate incubated for 15 mins prior to s...				Bioorg Med Chem Lett 22: 6762-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.066 BindingDB Entry DOI: 10.7270/Q2028SNC
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50444535 (CHEMBL3099592) Show SMILES Oc1ccc(CC2=C(N=O)C3CCN2CC3)cc1 |c:6,(60.33,-4.83,;58.78,-4.86,;58.04,-6.21,;56.5,-6.24,;55.71,-4.92,;54.16,-4.95,;53.37,-3.63,;51.83,-3.65,;51.08,-5,;51.88,-6.32,;51.04,-2.34,;51.78,-.99,;53.32,-.95,;54.11,-2.28,;53.18,-1.54,;51.77,-1.54,;56.44,-3.57,;57.98,-3.54,)| Show InChI InChI=1S/C14H16N2O2/c17-12-3-1-10(2-4-12)9-13-14(15-18)11-5-7-16(13)8-6-11/h1-4,11,17H,5-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Inhibition of recombinant 5-lipoxygenase (unknown origin) expressed in Escherichia coli BL21(DE3) using arachidonic acid as substrate incubated for 1...				ACS Med Chem Lett 4: 1169-72 (2013) Article DOI: 10.1021/ml4002562 BindingDB Entry DOI: 10.7270/Q228092M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50384784 (CHEMBL2037375) Show SMILES COc1ccc(cc1OC)-c1nc2ccc(C)cc2[nH]1 Show InChI InChI=1S/C16H16N2O2/c1-10-4-6-12-13(8-10)18-16(17-12)11-5-7-14(19-2)15(9-11)20-3/h4-9H,1-3H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant 5-lipooxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate incubated for 15 mins prior to subst...				ACS Med Chem Lett 3: 155-158 (2012) Article DOI: 10.1021/ml200286e BindingDB Entry DOI: 10.7270/Q2J10468
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50444539 (CHEMBL3099593) Show SMILES CCCCNC(=O)Nc1ccc(cn1)C(N)=O Show InChI InChI=1S/C11H16N4O2/c1-2-3-6-13-11(17)15-9-5-4-8(7-14-9)10(12)16/h4-5,7H,2-3,6H2,1H3,(H2,12,16)(H2,13,14,15,17)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Inhibition of recombinant soluble epoxide hydrolase (unknown origin) using PHOME as substrate incubated 15 mins prior to substrate addition measured ...				ACS Med Chem Lett 4: 1169-72 (2013) Article DOI: 10.1021/ml4002562 BindingDB Entry DOI: 10.7270/Q228092M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50444537 (CHEMBL3099590) Show SMILES Nc1ccc2nc([nH]c2c1)-c1ccco1 Show InChI InChI=1S/C11H9N3O/c12-7-3-4-8-9(6-7)14-11(13-8)10-2-1-5-15-10/h1-6H,12H2,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Inhibition of recombinant 5-lipoxygenase (unknown origin) expressed in Escherichia coli BL21(DE3) using arachidonic acid as substrate incubated for 1...				ACS Med Chem Lett 4: 1169-72 (2013) Article DOI: 10.1021/ml4002562 BindingDB Entry DOI: 10.7270/Q228092M
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50444540 (CHEMBL1594316) Show SMILES COc1ccc(cc1)-c1cn2ccccc2n1 Show InChI InChI=1S/C14H12N2O/c1-17-12-7-5-11(6-8-12)13-10-16-9-3-2-4-14(16)15-13/h2-10H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Inhibition of recombinant soluble epoxide hydrolase (unknown origin) using PHOME as substrate incubated 15 mins prior to substrate addition measured ...				ACS Med Chem Lett 4: 1169-72 (2013) Article DOI: 10.1021/ml4002562 BindingDB Entry DOI: 10.7270/Q228092M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50444533 (CHEMBL3099678) Show SMILES COC(=O)Nc1nc(c(C)s1)-c1ccccc1 Show InChI InChI=1S/C12H12N2O2S/c1-8-10(9-6-4-3-5-7-9)13-11(17-8)14-12(15)16-2/h3-7H,1-2H3,(H,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Inhibition of recombinant 5-lipoxygenase (unknown origin) expressed in Escherichia coli BL21(DE3) using arachidonic acid as substrate incubated for 1...				ACS Med Chem Lett 4: 1169-72 (2013) Article DOI: 10.1021/ml4002562 BindingDB Entry DOI: 10.7270/Q228092M
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50078827 (2-(pyridin-3-yl)-1H-benzo[d]imidazole | 2-Pyridin-...) Show SMILES c1ccc2[nH]c(nc2c1)-c1cccnc1 Show InChI InChI=1S/C12H9N3/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-8H,(H,14,15)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Inhibition of recombinant soluble epoxide hydrolase (unknown origin) using PHOME as substrate incubated 15 mins prior to substrate addition measured ...				ACS Med Chem Lett 4: 1169-72 (2013) Article DOI: 10.1021/ml4002562 BindingDB Entry DOI: 10.7270/Q228092M
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50444536 (CHEMBL3099591) Show SMILES COc1ccc2c(c1)oc(cc2=O)C(F)(F)F Show InChI InChI=1S/C11H7F3O3/c1-16-6-2-3-7-8(15)5-10(11(12,13)14)17-9(7)4-6/h2-5H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Inhibition of recombinant soluble epoxide hydrolase (unknown origin) using PHOME as substrate incubated 15 mins prior to substrate addition measured ...				ACS Med Chem Lett 4: 1169-72 (2013) Article DOI: 10.1021/ml4002562 BindingDB Entry DOI: 10.7270/Q228092M
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50444535 (CHEMBL3099592) Show SMILES Oc1ccc(CC2=C(N=O)C3CCN2CC3)cc1 |c:6,(60.33,-4.83,;58.78,-4.86,;58.04,-6.21,;56.5,-6.24,;55.71,-4.92,;54.16,-4.95,;53.37,-3.63,;51.83,-3.65,;51.08,-5,;51.88,-6.32,;51.04,-2.34,;51.78,-.99,;53.32,-.95,;54.11,-2.28,;53.18,-1.54,;51.77,-1.54,;56.44,-3.57,;57.98,-3.54,)| Show InChI InChI=1S/C14H16N2O2/c17-12-3-1-10(2-4-12)9-13-14(15-18)11-5-7-16(13)8-6-11/h1-4,11,17H,5-9H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Inhibition of recombinant soluble epoxide hydrolase (unknown origin) using PHOME as substrate incubated 15 mins prior to substrate addition measured ...				ACS Med Chem Lett 4: 1169-72 (2013) Article DOI: 10.1021/ml4002562 BindingDB Entry DOI: 10.7270/Q228092M
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50444532 (CHEMBL3099679) Show SMILES c1coc(c1)-c1nc2ccccc2o1 Show InChI InChI=1S/C11H7NO2/c1-2-5-9-8(4-1)12-11(14-9)10-6-3-7-13-10/h1-7H	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Inhibition of recombinant soluble epoxide hydrolase (unknown origin) using PHOME as substrate incubated 15 mins prior to substrate addition measured ...				ACS Med Chem Lett 4: 1169-72 (2013) Article DOI: 10.1021/ml4002562 BindingDB Entry DOI: 10.7270/Q228092M
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50180740 (2-(furan-2-yl)-1H-benzo[d]imidazole | CHEMBL201094...) Show SMILES c1coc(c1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.07E+5	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Inhibition of recombinant soluble epoxide hydrolase (unknown origin) using PHOME as substrate incubated 15 mins prior to substrate addition measured ...				ACS Med Chem Lett 4: 1169-72 (2013) Article DOI: 10.1021/ml4002562 BindingDB Entry DOI: 10.7270/Q228092M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50444536 (CHEMBL3099591) Show SMILES COc1ccc2c(c1)oc(cc2=O)C(F)(F)F Show InChI InChI=1S/C11H7F3O3/c1-16-6-2-3-7-8(15)5-10(11(12,13)14)17-9(7)4-6/h2-5H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.37E+5	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Inhibition of recombinant 5-lipoxygenase (unknown origin) expressed in Escherichia coli BL21(DE3) using arachidonic acid as substrate incubated for 1...				ACS Med Chem Lett 4: 1169-72 (2013) Article DOI: 10.1021/ml4002562 BindingDB Entry DOI: 10.7270/Q228092M
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50444533 (CHEMBL3099678) Show SMILES COC(=O)Nc1nc(c(C)s1)-c1ccccc1 Show InChI InChI=1S/C12H12N2O2S/c1-8-10(9-6-4-3-5-7-9)13-11(17-8)14-12(15)16-2/h3-7H,1-2H3,(H,13,14,15)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.79E+5	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Inhibition of recombinant soluble epoxide hydrolase (unknown origin) using PHOME as substrate incubated 15 mins prior to substrate addition measured ...				ACS Med Chem Lett 4: 1169-72 (2013) Article DOI: 10.1021/ml4002562 BindingDB Entry DOI: 10.7270/Q228092M
					More data for this Ligand-Target Pair
Myelin-associated glycoprotein (Mus musculus)	BDBM50378608 (CHEMBL601721) Show SMILES O[C@H](CNC(=O)c1ccc(Cl)cc1)[C@H](O)[C@H]1O[C@@](C[C@@H](O)[C@@H]1NC(=O)CC1CC1)(OCc1cccc(F)c1F)C([O-])=O |r,@@:26| Show InChI InChI=1S/C28H31ClF2N2O9/c29-17-8-6-15(7-9-17)26(38)32-12-20(35)24(37)25-23(33-21(36)10-14-4-5-14)19(34)11-28(42-25,27(39)40)41-13-16-2-1-3-18(30)22(16)31/h1-3,6-9,14,19-20,23-25,34-35,37H,4-5,10-13H2,(H,32,38)(H,33,36)(H,39,40)/p-1/t19-,20-,23+,24+,25+,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by SPR analysis				J Med Chem 53: 1597-615 (2010) Article DOI: 10.1021/jm901517k BindingDB Entry DOI: 10.7270/Q2V69KHM
					More data for this Ligand-Target Pair
Myelin-associated glycoprotein (Mus musculus)	BDBM50378609 (CHEMBL601722) Show SMILES O[C@H](CNC(=O)c1ccc(Cl)cc1)[C@H](O)[C@H]1O[C@@](C[C@@H](O)[C@@H]1NC(=O)CC1CCC1)(OCc1cccc(F)c1F)C([O-])=O |r,@@:26| Show InChI InChI=1S/C29H33ClF2N2O9/c30-18-9-7-16(8-10-18)27(39)33-13-21(36)25(38)26-24(34-22(37)11-15-3-1-4-15)20(35)12-29(43-26,28(40)41)42-14-17-5-2-6-19(31)23(17)32/h2,5-10,15,20-21,24-26,35-36,38H,1,3-4,11-14H2,(H,33,39)(H,34,37)(H,40,41)/p-1/t20-,21-,24+,25+,26+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by SPR analysis				J Med Chem 53: 1597-615 (2010) Article DOI: 10.1021/jm901517k BindingDB Entry DOI: 10.7270/Q2V69KHM
					More data for this Ligand-Target Pair
Myelin-associated glycoprotein (Mus musculus)	BDBM50327098 (CHEMBL1254099 | sodium(2R,4S,5R,6R)-5-acetamido-6-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)c1ccccc1)C([O-])=O |r| Show InChI InChI=1S/C25H30N2O9/c1-15(28)27-20-18(29)12-25(24(33)34,35-14-16-8-4-2-5-9-16)36-22(20)21(31)19(30)13-26-23(32)17-10-6-3-7-11-17/h2-11,18-22,29-31H,12-14H2,1H3,(H,26,32)(H,27,28)(H,33,34)/p-1/t18-,19+,20+,21+,22+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.18E+4	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells under HBS-EP condition by CM5 chip SPR analysis				J Med Chem 53: 1597-615 (2010) Article DOI: 10.1021/jm901517k BindingDB Entry DOI: 10.7270/Q2V69KHM
					More data for this Ligand-Target Pair
Myelin-associated glycoprotein (Mus musculus)	BDBM50327098 (CHEMBL1254099 | sodium(2R,4S,5R,6R)-5-acetamido-6-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)c1ccccc1)C([O-])=O |r| Show InChI InChI=1S/C25H30N2O9/c1-15(28)27-20-18(29)12-25(24(33)34,35-14-16-8-4-2-5-9-16)36-22(20)21(31)19(30)13-26-23(32)17-10-6-3-7-11-17/h2-11,18-22,29-31H,12-14H2,1H3,(H,26,32)(H,27,28)(H,33,34)/p-1/t18-,19+,20+,21+,22+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.76E+4	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells under HEPES condition by CM5 chip SPR analysis				J Med Chem 53: 1597-615 (2010) Article DOI: 10.1021/jm901517k BindingDB Entry DOI: 10.7270/Q2V69KHM
					More data for this Ligand-Target Pair
Myelin-associated glycoprotein (Mus musculus)	BDBM50327098 (CHEMBL1254099 | sodium(2R,4S,5R,6R)-5-acetamido-6-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)c1ccccc1)C([O-])=O |r| Show InChI InChI=1S/C25H30N2O9/c1-15(28)27-20-18(29)12-25(24(33)34,35-14-16-8-4-2-5-9-16)36-22(20)21(31)19(30)13-26-23(32)17-10-6-3-7-11-17/h2-11,18-22,29-31H,12-14H2,1H3,(H,26,32)(H,27,28)(H,33,34)/p-1/t18-,19+,20+,21+,22+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.49E+4	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells under NaCl condition by CM5 chip SPR analysis				J Med Chem 53: 1597-615 (2010) Article DOI: 10.1021/jm901517k BindingDB Entry DOI: 10.7270/Q2V69KHM
					More data for this Ligand-Target Pair
Myelin-associated glycoprotein (Mus musculus)	BDBM50327098 (CHEMBL1254099 | sodium(2R,4S,5R,6R)-5-acetamido-6-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)c1ccccc1)C([O-])=O |r| Show InChI InChI=1S/C25H30N2O9/c1-15(28)27-20-18(29)12-25(24(33)34,35-14-16-8-4-2-5-9-16)36-22(20)21(31)19(30)13-26-23(32)17-10-6-3-7-11-17/h2-11,18-22,29-31H,12-14H2,1H3,(H,26,32)(H,27,28)(H,33,34)/p-1/t18-,19+,20+,21+,22+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells under carboxymethyl-dextran sodium salt condition by CM5 chip SPR analysis				J Med Chem 53: 1597-615 (2010) Article DOI: 10.1021/jm901517k BindingDB Entry DOI: 10.7270/Q2V69KHM
					More data for this Ligand-Target Pair
Myelin-associated glycoprotein (Mus musculus)	BDBM50327098 (CHEMBL1254099 | sodium(2R,4S,5R,6R)-5-acetamido-6-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)c1ccccc1)C([O-])=O |r| Show InChI InChI=1S/C25H30N2O9/c1-15(28)27-20-18(29)12-25(24(33)34,35-14-16-8-4-2-5-9-16)36-22(20)21(31)19(30)13-26-23(32)17-10-6-3-7-11-17/h2-11,18-22,29-31H,12-14H2,1H3,(H,26,32)(H,27,28)(H,33,34)/p-1/t18-,19+,20+,21+,22+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells under HBS-EP condition by CM4 chip SPR analysis				J Med Chem 53: 1597-615 (2010) Article DOI: 10.1021/jm901517k BindingDB Entry DOI: 10.7270/Q2V69KHM
					More data for this Ligand-Target Pair
Myelin-associated glycoprotein (Mus musculus)	BDBM50378610 (CHEMBL590917) Show SMILES OC[C@@H]1O[C@H](O[C@H]2CCO[C@@H](COCc3ccc(cc3)-c3ccccc3)[C@@H]2O)[C@@H](O)[C@H](O[C@]2(C[C@H](O)[C@@H](NC(O)=O)[C@@H](O2)[C@H](O)[C@H](O)CNC(=O)c2ccc(Cl)cc2)C([O-])=O)[C@H]1O |r| Show InChI InChI=1S/C42H51ClN2O18/c43-25-12-10-24(11-13-25)38(53)44-17-27(48)32(49)36-31(45-41(56)57)26(47)16-42(62-36,40(54)55)63-37-34(51)29(18-46)61-39(35(37)52)60-28-14-15-59-30(33(28)50)20-58-19-21-6-8-23(9-7-21)22-4-2-1-3-5-22/h1-13,26-37,39,45-52H,14-20H2,(H,44,53)(H,54,55)(H,56,57)/p-1/t26-,27+,28-,29-,30-,31+,32+,33+,34-,35-,36+,37+,39-,42+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.83E+3	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by SPR analysis				J Med Chem 53: 1597-615 (2010) Article DOI: 10.1021/jm901517k BindingDB Entry DOI: 10.7270/Q2V69KHM
					More data for this Ligand-Target Pair
Myelin-associated glycoprotein (Mus musculus)	BDBM50378611 (CHEMBL590827) Show SMILES OC[C@@H]1O[C@H](O[C@H]2CCO[C@@H](COCc3ccc(cc3)-c3ccccc3)[C@@H]2O)[C@@H](O)[C@H](O[C@]2(C[C@H](O)[C@@H](NC(O)=O)[C@@H](O2)[C@H](O)[C@H](O)CNC(=O)c2ccccc2)C([O-])=O)[C@H]1O |r| Show InChI InChI=1S/C42H52N2O18/c45-19-29-34(50)37(35(51)39(60-29)59-28-15-16-58-30(33(28)49)21-57-20-22-11-13-24(14-12-22)23-7-3-1-4-8-23)62-42(40(53)54)17-26(46)31(44-41(55)56)36(61-42)32(48)27(47)18-43-38(52)25-9-5-2-6-10-25/h1-14,26-37,39,44-51H,15-21H2,(H,43,52)(H,53,54)(H,55,56)/p-1/t26-,27+,28-,29-,30-,31+,32+,33+,34-,35-,36+,37+,39-,42+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.44E+3	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by SPR analysis				J Med Chem 53: 1597-615 (2010) Article DOI: 10.1021/jm901517k BindingDB Entry DOI: 10.7270/Q2V69KHM
					More data for this Ligand-Target Pair
Myelin-associated glycoprotein (Mus musculus)	BDBM50378612 (CHEMBL394182) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@](OCc2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)c1ccc(Cl)c(Cl)c1)C([O-])=O |r| Show InChI InChI=1S/C25H28Cl2N2O9/c1-13(30)29-20-18(31)10-25(24(35)36,37-12-14-5-3-2-4-6-14)38-22(20)21(33)19(32)11-28-23(34)15-7-8-16(26)17(27)9-15/h2-9,18-22,31-33H,10-12H2,1H3,(H,28,34)(H,29,30)(H,35,36)/p-1/t18-,19+,20+,21+,22+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.92E+4	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by SPR analysis				J Med Chem 53: 1597-615 (2010) Article DOI: 10.1021/jm901517k BindingDB Entry DOI: 10.7270/Q2V69KHM
					More data for this Ligand-Target Pair
Myelin-associated glycoprotein (Mus musculus)	BDBM50378613 (CHEMBL598744) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@](OCc2cnn[nH]2)(O[C@H]1[C@H](O)[C@@H](O)CNC(=O)c1ccccc1)C([O-])=O |r| Show InChI InChI=1S/C21H27N5O9/c1-11(27)24-16-14(28)7-21(20(32)33,34-10-13-8-23-26-25-13)35-18(16)17(30)15(29)9-22-19(31)12-5-3-2-4-6-12/h2-6,8,14-18,28-30H,7,9-10H2,1H3,(H,22,31)(H,24,27)(H,32,33)(H,23,25,26)/p-1/t14-,15-,16+,17+,18+,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by SPR analysis				J Med Chem 53: 1597-615 (2010) Article DOI: 10.1021/jm901517k BindingDB Entry DOI: 10.7270/Q2V69KHM
					More data for this Ligand-Target Pair
Myelin-associated glycoprotein (Mus musculus)	BDBM50378614 (CHEMBL391051) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@](OCc2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)c1cccc(Cl)c1)C([O-])=O |r| Show InChI InChI=1S/C25H29ClN2O9/c1-14(29)28-20-18(30)11-25(24(34)35,36-13-15-6-3-2-4-7-15)37-22(20)21(32)19(31)12-27-23(33)16-8-5-9-17(26)10-16/h2-10,18-22,30-32H,11-13H2,1H3,(H,27,33)(H,28,29)(H,34,35)/p-1/t18-,19+,20+,21+,22+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.39E+4	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by SPR analysis				J Med Chem 53: 1597-615 (2010) Article DOI: 10.1021/jm901517k BindingDB Entry DOI: 10.7270/Q2V69KHM
					More data for this Ligand-Target Pair
Myelin-associated glycoprotein (Mus musculus)	BDBM50378596 (CHEMBL609756) Show SMILES CO[C@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@@H](O)CNC(=O)c1ccccc1)C([O-])=O |r| Show InChI InChI=1S/C19H26N2O9/c1-10(22)21-14-12(23)8-19(29-2,18(27)28)30-16(14)15(25)13(24)9-20-17(26)11-6-4-3-5-7-11/h3-7,12-16,23-25H,8-9H2,1-2H3,(H,20,26)(H,21,22)(H,27,28)/p-1/t12-,13-,14+,15+,16+,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.37E+5	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by biocore				J Med Chem 53: 1597-615 (2010) Article DOI: 10.1021/jm901517k BindingDB Entry DOI: 10.7270/Q2V69KHM
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM19993 (CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...) Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at recombinant human GAL4-DBD-fused LXRbeta-LBD expressed in HEK293T cells measured after 12 to 14 hrs by dual-glo luciferas...				Bioorg Med Chem Lett 27: 1193-1198 (2017) Article DOI: 10.1016/j.bmcl.2017.01.066 BindingDB Entry DOI: 10.7270/Q2668GNW
					More data for this Ligand-Target Pair				3D Structure (crystal)

Displayed 1 to 50 (of 71 total )  |  Next  |  Last  >>

Jump to: