Compile Data Set for Download or QSAR

Found 326 hits with Last Name = 'laffitte' and Initial = 'b'   

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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538098 (CHEMBL4640031) Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)Nc1cc(ccn1)-c1cn([C@H]2CC[C@@](C)(O)CC2)c2cnccc12 |r,wU:23.25,5.5,1.0,wD:20.21,(67.8,-7.39,;66.77,-6.25,;65.27,-6.57,;64.23,-5.42,;64.7,-3.97,;66.21,-3.64,;66.68,-2.18,;67.24,-4.79,;62.73,-5.75,;62.26,-7.22,;61.69,-4.61,;60.19,-4.94,;59.72,-6.41,;58.21,-6.74,;57.18,-5.6,;57.64,-4.14,;59.15,-3.8,;57.75,-8.2,;58.66,-9.44,;57.76,-10.69,;58.24,-12.15,;57.22,-13.3,;57.69,-14.75,;59.2,-15.07,;58.8,-16.55,;60.28,-16.15,;60.23,-13.92,;59.75,-12.45,;56.29,-10.22,;54.95,-11,;53.61,-10.23,;53.62,-8.69,;54.95,-7.92,;56.28,-8.68,)| Show InChI InChI=1S/C26H33N5O3/c1-17-14-30(15-18(2)34-17)25(32)29-24-12-19(6-11-28-24)22-16-31(23-13-27-10-7-21(22)23)20-4-8-26(3,33)9-5-20/h6-7,10-13,16-18,20,33H,4-5,8-9,14-15H2,1-3H3,(H,28,29,32)/t17-,18+,20-,26+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538084 (CHEMBL4647659) Show SMILES CC(C)Oc1ccc(F)c(c1)-c1cnc(N)c(n1)C(=O)Nc1cnccc1N1CCC[C@H](C1)C(O)=O |r| Show InChI InChI=1S/C25H27FN6O4/c1-14(2)36-16-5-6-18(26)17(10-16)19-12-29-23(27)22(30-19)24(33)31-20-11-28-8-7-21(20)32-9-3-4-15(13-32)25(34)35/h5-8,10-12,14-15H,3-4,9,13H2,1-2H3,(H2,27,29)(H,31,33)(H,34,35)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human DYRK1A (129 to 509 residues) expressed in mammalian expression system by Kinomescan method				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538099 (CHEMBL4636064) Show SMILES CCN1CCN(CC1)C(=O)Nc1cc(ccn1)-c1cn(C2CCOCC2)c2cnccc12 Show InChI InChI=1S/C24H30N6O2/c1-2-28-9-11-29(12-10-28)24(31)27-23-15-18(3-8-26-23)21-17-30(19-5-13-32-14-6-19)22-16-25-7-4-20(21)22/h3-4,7-8,15-17,19H,2,5-6,9-14H2,1H3,(H,26,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538095 (CHEMBL4649473) Show SMILES CC1(C)CN(C1)C(=O)Nc1cc(ccn1)-c1cn(C2CCOCC2)c2cnccc12 Show InChI InChI=1S/C23H27N5O2/c1-23(2)14-27(15-23)22(29)26-21-11-16(3-8-25-21)19-13-28(17-5-9-30-10-6-17)20-12-24-7-4-18(19)20/h3-4,7-8,11-13,17H,5-6,9-10,14-15H2,1-2H3,(H,25,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538090 (CHEMBL4648742) Show SMILES c1c(-c2ccncc2)c2ccncc2n1-c1ccccc1 Show InChI InChI=1S/C18H13N3/c1-2-4-15(5-3-1)21-13-17(14-6-9-19-10-7-14)16-8-11-20-12-18(16)21/h1-13H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50252816 (2-(4-{Butyl[3-(2-hydroxyethoxy)benzyl]amino}phenyl...) Show SMILES CCCCN(Cc1cccc(CCO)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H25F6NO2/c1-2-3-12-29(15-17-6-4-5-16(14-17)11-13-30)19-9-7-18(8-10-19)20(31,21(23,24)25)22(26,27)28/h4-10,14,30-31H,2-3,11-13,15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538093 (CHEMBL4645474) Show SMILES O=C(NC1CC1)Nc1cc(ccn1)-c1cn(-c2ccccc2)c2cnccc12 Show InChI InChI=1S/C22H19N5O/c28-22(25-16-6-7-16)26-21-12-15(8-11-24-21)19-14-27(17-4-2-1-3-5-17)20-13-23-10-9-18(19)20/h1-5,8-14,16H,6-7H2,(H2,24,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50538084 (CHEMBL4647659) Show SMILES CC(C)Oc1ccc(F)c(c1)-c1cnc(N)c(n1)C(=O)Nc1cnccc1N1CCC[C@H](C1)C(O)=O |r| Show InChI InChI=1S/C25H27FN6O4/c1-14(2)36-16-5-6-18(26)17(10-16)19-12-29-23(27)22(30-19)24(33)31-20-11-28-8-7-21(20)32-9-3-4-15(13-32)25(34)35/h5-8,10-12,14-15H,3-4,9,13H2,1-2H3,(H2,27,29)(H,31,33)(H,34,35)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK3beta (1 to 433 residues) expressed in mammalian expression system by Kinomescan method				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538094 (CHEMBL4641631) Show SMILES O=C(NC1CC1)Nc1cc(ccn1)-c1cn(C2CCOCC2)c2cnccc12 Show InChI InChI=1S/C21H23N5O2/c27-21(24-15-1-2-15)25-20-11-14(3-8-23-20)18-13-26(16-5-9-28-10-6-16)19-12-22-7-4-17(18)19/h3-4,7-8,11-13,15-16H,1-2,5-6,9-10H2,(H2,23,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50508126 (CHEMBL4457564) Show SMILES CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(-c3ccc(cc3)C(F)(F)F)c(=O)n2-c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C35H29F6N3O4/c1-2-48-30-19-10-24(20-25(30)21-32(45)46)23-8-6-22(7-9-23)4-3-5-31-42-44(29-17-13-27(14-18-29)35(39,40)41)33(47)43(31)28-15-11-26(12-16-28)34(36,37)38/h6-20H,2-5,21H2,1H3,(H,45,46)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Inception Sciences Curated by ChEMBL					Assay Description Antagonist activity at recombinant human PPARalpha assessed as inhibition of GW7647-induced receptor activation after overnight incubation by cell-ba...				Bioorg Med Chem Lett 29: 503-508 (2019) Article DOI: 10.1016/j.bmcl.2018.12.045 BindingDB Entry DOI: 10.7270/Q2XK8JVQ
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538091 (CHEMBL4640465) Show SMILES Nc1cc(ccn1)-c1cn(-c2ccccc2)c2cnccc12 Show InChI InChI=1S/C18H14N4/c19-18-10-13(6-9-21-18)16-12-22(14-4-2-1-3-5-14)17-11-20-8-7-15(16)17/h1-12H,(H2,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50508159 (CHEMBL4529735) Show SMILES CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(-c3ccc(cc3)C(F)(F)F)c(=O)n2-c2ccccc2)cc1 Show InChI InChI=1S/C34H30F3N3O4/c1-2-44-30-20-15-25(21-26(30)22-32(41)42)24-13-11-23(12-14-24)7-6-10-31-38-40(29-18-16-27(17-19-29)34(35,36)37)33(43)39(31)28-8-4-3-5-9-28/h3-5,8-9,11-21H,2,6-7,10,22H2,1H3,(H,41,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Inception Sciences Curated by ChEMBL					Assay Description Antagonist activity at recombinant human PPARdelta assessed as inhibition of GW0742-induced receptor activation after overnight incubation by cell-ba...				Bioorg Med Chem Lett 29: 503-508 (2019) Article DOI: 10.1016/j.bmcl.2018.12.045 BindingDB Entry DOI: 10.7270/Q2XK8JVQ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50508137 (CHEMBL4437146) Show SMILES COc1ccc(nc1NS(=O)(=O)c1ccccc1)-c1ccc(OCc2nn(-c3ccc(cc3)C(F)(F)F)c(=O)n2-c2ccccc2F)cc1 |(67.94,-13.52,;66.62,-14.31,;65.28,-13.55,;65.25,-12.01,;63.91,-11.26,;62.6,-12.04,;62.61,-13.58,;63.95,-14.34,;63.96,-15.88,;65.3,-16.63,;66.63,-15.85,;66.64,-17.39,;65.32,-18.17,;63.99,-18.95,;64.01,-20.49,;65.35,-21.25,;66.68,-20.45,;66.66,-18.92,;61.26,-11.28,;59.93,-12.07,;58.59,-11.31,;58.58,-9.77,;57.24,-9.01,;55.91,-9.79,;54.57,-9.04,;54.09,-7.57,;52.55,-7.58,;51.64,-6.33,;52.27,-4.93,;51.36,-3.69,;49.83,-3.85,;49.21,-5.27,;50.12,-6.51,;48.92,-2.61,;49.54,-1.2,;47.39,-2.78,;47.82,-1.51,;52.08,-9.04,;50.62,-9.53,;53.33,-9.94,;53.34,-11.48,;54.67,-12.24,;54.68,-13.79,;53.34,-14.57,;52.01,-13.79,;52.01,-12.25,;50.68,-11.48,;59.9,-8.99,;61.24,-9.74,)| Show InChI InChI=1S/C34H25F4N5O5S/c1-47-30-20-19-28(39-32(30)41-49(45,46)26-7-3-2-4-8-26)22-11-17-25(18-12-22)48-21-31-40-43(24-15-13-23(14-16-24)34(36,37)38)33(44)42(31)29-10-6-5-9-27(29)35/h2-20H,21H2,1H3,(H,39,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Inception Sciences Curated by ChEMBL					Assay Description Antagonist activity at recombinant human PPARalpha assessed as inhibition of GW7647-induced receptor activation after overnight incubation by cell-ba...				Bioorg Med Chem Lett 29: 503-508 (2019) Article DOI: 10.1016/j.bmcl.2018.12.045 BindingDB Entry DOI: 10.7270/Q2XK8JVQ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50508153 (CHEMBL4549922) Show SMILES CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(-c3ccc(OC(F)(F)F)cc3)c(=O)n2-c2ccccc2F)cc1 |(80.09,-3.25,;78.76,-4.04,;77.42,-3.28,;76.09,-4.07,;74.74,-3.31,;73.42,-4.1,;73.44,-5.62,;74.78,-6.39,;76.11,-5.61,;77.45,-6.37,;77.46,-7.91,;76.14,-8.69,;78.8,-8.66,;72.12,-6.41,;72.13,-7.95,;70.8,-8.73,;69.46,-7.97,;68.14,-8.75,;66.8,-7.99,;65.47,-8.77,;64.13,-8.01,;63.65,-6.55,;62.11,-6.55,;61.33,-5.22,;62.09,-3.89,;61.31,-2.56,;59.77,-2.57,;58.99,-1.25,;57.45,-1.26,;56.66,.08,;56.69,-2.6,;55.9,-1.25,;59.01,-3.92,;59.8,-5.24,;61.64,-8.02,;60.18,-8.5,;62.89,-8.91,;62.9,-10.45,;64.23,-11.22,;64.24,-12.77,;62.9,-13.54,;61.57,-12.77,;61.57,-11.22,;60.23,-10.45,;69.45,-6.43,;70.77,-5.65,)| Show InChI InChI=1S/C34H29F4N3O5/c1-2-45-30-19-14-24(20-25(30)21-32(42)43)23-12-10-22(11-13-23)6-5-9-31-39-41(26-15-17-27(18-16-26)46-34(36,37)38)33(44)40(31)29-8-4-3-7-28(29)35/h3-4,7-8,10-20H,2,5-6,9,21H2,1H3,(H,42,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Inception Sciences Curated by ChEMBL					Assay Description Antagonist activity at recombinant human PPARalpha assessed as inhibition of GW7647-induced receptor activation after overnight incubation by cell-ba...				Bioorg Med Chem Lett 29: 503-508 (2019) Article DOI: 10.1016/j.bmcl.2018.12.045 BindingDB Entry DOI: 10.7270/Q2XK8JVQ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50508144 (CHEMBL4545223) Show SMILES CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(-c3ccc(cc3)C(F)(F)F)c(=O)n2-c2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C38H38F3N3O4/c1-5-48-33-22-13-27(23-28(33)24-35(45)46)26-11-9-25(10-12-26)7-6-8-34-42-44(32-20-16-30(17-21-32)38(39,40)41)36(47)43(34)31-18-14-29(15-19-31)37(2,3)4/h9-23H,5-8,24H2,1-4H3,(H,45,46)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Inception Sciences Curated by ChEMBL					Assay Description Antagonist activity at recombinant human PPARalpha assessed as inhibition of GW7647-induced receptor activation after overnight incubation by cell-ba...				Bioorg Med Chem Lett 29: 503-508 (2019) Article DOI: 10.1016/j.bmcl.2018.12.045 BindingDB Entry DOI: 10.7270/Q2XK8JVQ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50508159 (CHEMBL4529735) Show SMILES CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(-c3ccc(cc3)C(F)(F)F)c(=O)n2-c2ccccc2)cc1 Show InChI InChI=1S/C34H30F3N3O4/c1-2-44-30-20-15-25(21-26(30)22-32(41)42)24-13-11-23(12-14-24)7-6-10-31-38-40(29-18-16-27(17-19-29)34(35,36)37)33(43)39(31)28-8-4-3-5-9-28/h3-5,8-9,11-21H,2,6-7,10,22H2,1H3,(H,41,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Inception Sciences Curated by ChEMBL					Assay Description Antagonist activity at recombinant human PPARalpha assessed as inhibition of GW7647-induced receptor activation after overnight incubation by cell-ba...				Bioorg Med Chem Lett 29: 503-508 (2019) Article DOI: 10.1016/j.bmcl.2018.12.045 BindingDB Entry DOI: 10.7270/Q2XK8JVQ
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50252939 (2-[4-(Butyl{[3-chloro-4,5-bis(methyloxy)phenyl]met...) Show SMILES CCCCN(Cc1cc(Cl)c(OC)c(OC)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H24ClF6NO3/c1-4-5-10-30(13-14-11-17(23)19(33-3)18(12-14)32-2)16-8-6-15(7-9-16)20(31,21(24,25)26)22(27,28)29/h6-9,11-12,31H,4-5,10,13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50252850 (2-{4-[Butyl(pyridin-4-ylmethyl)amino]phenyl}-1,1,1...) Show SMILES CCCCN(Cc1ccncc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H20F6N2O/c1-2-3-12-27(13-14-8-10-26-11-9-14)16-6-4-15(5-7-16)17(28,18(20,21)22)19(23,24)25/h4-11,28H,2-3,12-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538096 (CHEMBL4641672) Show SMILES O=C(Nc1cc(ccn1)-c1cn(C2CCOCC2)c2cnccc12)N1CCOCC1 Show InChI InChI=1S/C22H25N5O3/c28-22(26-7-11-30-12-8-26)25-21-13-16(1-6-24-21)19-15-27(17-3-9-29-10-4-17)20-14-23-5-2-18(19)20/h1-2,5-6,13-15,17H,3-4,7-12H2,(H,24,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50508127 (CHEMBL4449687) Show SMILES CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(-c3ccc(cc3)C(F)(F)F)c(=O)n2-c2ccccc2F)cc1 |(50.85,-41.06,;49.52,-41.85,;48.18,-41.09,;46.86,-41.88,;45.51,-41.12,;44.19,-41.9,;44.21,-43.43,;45.54,-44.2,;46.87,-43.42,;48.21,-44.18,;48.22,-45.72,;46.9,-46.5,;49.56,-46.47,;42.88,-44.22,;42.89,-45.76,;41.57,-46.54,;40.23,-45.77,;38.9,-46.55,;37.56,-45.8,;36.23,-46.58,;34.89,-45.82,;34.41,-44.35,;32.87,-44.36,;31.96,-43.12,;32.59,-41.71,;31.68,-40.47,;30.15,-40.63,;29.53,-42.05,;30.44,-43.29,;29.24,-39.39,;29.86,-37.98,;27.71,-39.56,;28.14,-38.29,;32.4,-45.83,;30.94,-46.31,;33.65,-46.72,;33.66,-48.26,;34.99,-49.03,;35,-50.58,;33.66,-51.35,;32.33,-50.58,;32.33,-49.03,;31,-48.26,;40.21,-44.24,;41.53,-43.46,)| Show InChI InChI=1S/C34H29F4N3O4/c1-2-45-30-19-14-24(20-25(30)21-32(42)43)23-12-10-22(11-13-23)6-5-9-31-39-41(27-17-15-26(16-18-27)34(36,37)38)33(44)40(31)29-8-4-3-7-28(29)35/h3-4,7-8,10-20H,2,5-6,9,21H2,1H3,(H,42,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Inception Sciences Curated by ChEMBL					Assay Description Antagonist activity at recombinant human PPARdelta assessed as inhibition of GW0742-induced receptor activation after overnight incubation by cell-ba...				Bioorg Med Chem Lett 29: 503-508 (2019) Article DOI: 10.1016/j.bmcl.2018.12.045 BindingDB Entry DOI: 10.7270/Q2XK8JVQ
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM19992 (2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methy...) Show SMILES OC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1 Show InChI InChI=1S/C33H31ClF3NO3/c34-32-27(15-8-17-30(32)33(35,36)37)22-38(18-9-19-41-28-16-7-10-24(20-28)21-31(39)40)23-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,10-17,20,29H,9,18-19,21-23H2,(H,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50252817 (2-{4-[Butyl(pyridin-2-ylmethyl)amino]phenyl}-1,1,1...) Show SMILES CCCCN(Cc1ccccn1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H20F6N2O/c1-2-3-12-27(13-15-6-4-5-11-26-15)16-9-7-14(8-10-16)17(28,18(20,21)22)19(23,24)25/h4-11,28H,2-3,12-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50508145 (CHEMBL4450146) Show SMILES CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(-c3ccc(cc3)C(F)(F)F)c(=O)n2-c2c(F)cccc2F)cc1 |(24.36,-4.61,;23.03,-5.4,;21.69,-4.64,;20.36,-5.43,;19.01,-4.67,;17.69,-5.46,;17.71,-6.99,;19.05,-7.75,;20.38,-6.97,;21.72,-7.73,;21.73,-9.27,;20.41,-10.05,;23.07,-10.03,;16.39,-7.77,;16.4,-9.31,;15.07,-10.09,;13.73,-9.33,;12.41,-10.11,;11.07,-9.35,;9.74,-10.13,;8.4,-9.37,;7.92,-7.91,;6.38,-7.91,;5.6,-6.58,;6.36,-5.25,;5.58,-3.92,;4.04,-3.94,;3.28,-5.29,;4.07,-6.61,;3.26,-2.61,;4.01,-1.27,;1.72,-2.62,;2.47,-1.27,;5.91,-9.38,;4.45,-9.86,;7.16,-10.27,;7.17,-11.81,;8.51,-12.57,;9.84,-11.79,;8.51,-14.11,;7.17,-14.88,;5.84,-14.11,;5.84,-12.58,;4.5,-11.81,;13.72,-7.79,;15.04,-7.01,)| Show InChI InChI=1S/C34H28F5N3O4/c1-2-46-29-18-13-23(19-24(29)20-31(43)44)22-11-9-21(10-12-22)5-3-8-30-40-42(26-16-14-25(15-17-26)34(37,38)39)33(45)41(30)32-27(35)6-4-7-28(32)36/h4,6-7,9-19H,2-3,5,8,20H2,1H3,(H,43,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Inception Sciences Curated by ChEMBL					Assay Description Antagonist activity at recombinant human PPARdelta assessed as inhibition of GW0742-induced receptor activation after overnight incubation by cell-ba...				Bioorg Med Chem Lett 29: 503-508 (2019) Article DOI: 10.1016/j.bmcl.2018.12.045 BindingDB Entry DOI: 10.7270/Q2XK8JVQ
					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	30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50252967 (2-{4-[Butyl(3,5-dichloro-4-methoxybenzyl)amino]phe...) Show SMILES CCCCN(Cc1cc(Cl)c(OC)c(Cl)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H21Cl2F6NO2/c1-3-4-9-30(12-13-10-16(22)18(32-2)17(23)11-13)15-7-5-14(6-8-15)19(31,20(24,25)26)21(27,28)29/h5-8,10-11,31H,3-4,9,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50252941 (2-{4-[Butyl(3,5-dichlorobenzyl)amino]phenyl}-1,1,1...) Show SMILES CCCCN(Cc1cc(Cl)cc(Cl)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H19Cl2F6NO/c1-2-3-8-29(12-13-9-15(21)11-16(22)10-13)17-6-4-14(5-7-17)18(30,19(23,24)25)20(26,27)28/h4-7,9-11,30H,2-3,8,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50252852 (3-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...) Show SMILES CCCCN(Cc1cccc(O)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H21F6NO2/c1-2-3-11-27(13-14-5-4-6-17(28)12-14)16-9-7-15(8-10-16)18(29,19(21,22)23)20(24,25)26/h4-10,12,28-29H,2-3,11,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50252940 (4-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...) Show SMILES CCCCN(Cc1cc(Cl)c(O)c(Cl)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H19Cl2F6NO2/c1-2-3-8-29(11-12-9-15(21)17(30)16(22)10-12)14-6-4-13(5-7-14)18(31,19(23,24)25)20(26,27)28/h4-7,9-10,30-31H,2-3,8,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50508147 (CHEMBL4530053) Show SMILES CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(-c3ccc(cc3)C(F)(F)F)c(=O)n2C2CC2)cc1 Show InChI InChI=1S/C31H30F3N3O4/c1-2-41-27-17-10-22(18-23(27)19-29(38)39)21-8-6-20(7-9-21)4-3-5-28-35-37(30(40)36(28)25-15-16-25)26-13-11-24(12-14-26)31(32,33)34/h6-14,17-18,25H,2-5,15-16,19H2,1H3,(H,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Inception Sciences Curated by ChEMBL					Assay Description Antagonist activity at recombinant human PPARalpha assessed as inhibition of GW7647-induced receptor activation after overnight incubation by cell-ba...				Bioorg Med Chem Lett 29: 503-508 (2019) Article DOI: 10.1016/j.bmcl.2018.12.045 BindingDB Entry DOI: 10.7270/Q2XK8JVQ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50508151 (CHEMBL4449183) Show SMILES CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(-c3ccc(cc3)C(C)(C)C)c(=O)n2-c2ccccc2F)cc1 |(51.36,-4.13,;50.04,-4.92,;48.69,-4.16,;47.37,-4.95,;46.02,-4.19,;44.7,-4.98,;44.72,-6.5,;46.06,-7.27,;47.38,-6.49,;48.72,-7.25,;48.74,-8.79,;47.41,-9.57,;50.08,-9.54,;43.39,-7.29,;43.41,-8.83,;42.08,-9.61,;40.74,-8.84,;39.41,-9.62,;38.07,-8.87,;36.74,-9.65,;35.4,-8.89,;34.92,-7.42,;33.38,-7.43,;32.6,-6.1,;33.37,-4.77,;32.59,-3.44,;31.05,-3.45,;30.29,-4.8,;31.07,-6.12,;30.26,-2.13,;31.02,-.79,;28.72,-2.14,;29.48,-.79,;32.91,-8.9,;31.45,-9.38,;34.17,-9.79,;34.17,-11.33,;35.51,-12.1,;35.51,-13.65,;34.18,-14.42,;32.84,-13.65,;32.84,-12.1,;31.51,-11.33,;40.72,-7.31,;42.04,-6.53,)| Show InChI InChI=1S/C37H38FN3O4/c1-5-45-33-22-17-27(23-28(33)24-35(42)43)26-15-13-25(14-16-26)9-8-12-34-39-41(30-20-18-29(19-21-30)37(2,3)4)36(44)40(34)32-11-7-6-10-31(32)38/h6-7,10-11,13-23H,5,8-9,12,24H2,1-4H3,(H,42,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Inception Sciences Curated by ChEMBL					Assay Description Antagonist activity at recombinant human PPARalpha assessed as inhibition of GW7647-induced receptor activation after overnight incubation by cell-ba...				Bioorg Med Chem Lett 29: 503-508 (2019) Article DOI: 10.1016/j.bmcl.2018.12.045 BindingDB Entry DOI: 10.7270/Q2XK8JVQ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50508126 (CHEMBL4457564) Show SMILES CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(-c3ccc(cc3)C(F)(F)F)c(=O)n2-c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C35H29F6N3O4/c1-2-48-30-19-10-24(20-25(30)21-32(45)46)23-8-6-22(7-9-23)4-3-5-31-42-44(29-17-13-27(14-18-29)35(39,40)41)33(47)43(31)28-15-11-26(12-16-28)34(36,37)38/h6-20H,2-5,21H2,1H3,(H,45,46)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Inception Sciences Curated by ChEMBL					Assay Description Antagonist activity at recombinant human PPARdelta assessed as inhibition of GW0742-induced receptor activation after overnight incubation by cell-ba...				Bioorg Med Chem Lett 29: 503-508 (2019) Article DOI: 10.1016/j.bmcl.2018.12.045 BindingDB Entry DOI: 10.7270/Q2XK8JVQ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50508143 (CHEMBL4443720) Show SMILES CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(-c3ccc(cc3)C(F)(F)F)c(=O)n2-c2ccccc2C)cc1 |(74.83,-5.42,;73.5,-6.2,;72.16,-5.45,;70.83,-6.23,;69.48,-5.47,;68.16,-6.26,;68.19,-7.79,;69.52,-8.55,;70.85,-7.77,;72.19,-8.53,;72.2,-10.07,;70.88,-10.85,;73.54,-10.83,;66.86,-8.57,;66.87,-10.11,;65.54,-10.89,;64.21,-10.13,;62.88,-10.91,;61.54,-10.15,;60.21,-10.93,;58.87,-10.17,;58.39,-8.71,;56.85,-8.71,;56.07,-7.39,;56.83,-6.05,;56.05,-4.72,;54.51,-4.74,;53.75,-6.09,;54.54,-7.41,;53.73,-3.41,;54.49,-2.07,;52.19,-3.43,;52.94,-2.07,;56.38,-10.18,;54.92,-10.66,;57.63,-11.08,;57.64,-12.62,;56.31,-13.38,;56.31,-14.91,;57.64,-15.69,;58.98,-14.91,;58.98,-13.37,;60.31,-12.59,;64.19,-8.59,;65.51,-7.81,)| Show InChI InChI=1S/C35H32F3N3O4/c1-3-45-31-20-15-26(21-27(31)22-33(42)43)25-13-11-24(12-14-25)8-6-10-32-39-41(29-18-16-28(17-19-29)35(36,37)38)34(44)40(32)30-9-5-4-7-23(30)2/h4-5,7,9,11-21H,3,6,8,10,22H2,1-2H3,(H,42,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Inception Sciences Curated by ChEMBL					Assay Description Antagonist activity at recombinant human PPARdelta assessed as inhibition of GW0742-induced receptor activation after overnight incubation by cell-ba...				Bioorg Med Chem Lett 29: 503-508 (2019) Article DOI: 10.1016/j.bmcl.2018.12.045 BindingDB Entry DOI: 10.7270/Q2XK8JVQ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50013729 (CHEMBL3264919) Show SMILES CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)c3ccccc3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O Show InChI InChI=1S/C34H42N4O5S/c1-7-37-30(35-38(32(37)40)24-26-16-20-27(21-17-26)33(2,3)4)15-11-12-25-18-22-28(23-19-25)43-34(5,6)31(39)36-44(41,42)29-13-9-8-10-14-29/h8-10,13-14,16-23H,7,11-12,15,24H2,1-6H3,(H,36,39)	PDB UniProtKB/SwissProt 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
Inception Sciences Curated by ChEMBL					Assay Description Antagonist activity at human PPARalpha				Bioorg Med Chem Lett 29: 503-508 (2019) Article DOI: 10.1016/j.bmcl.2018.12.045 BindingDB Entry DOI: 10.7270/Q2XK8JVQ
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50252851 (2-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...) Show SMILES CCCCN(Cc1ccccc1O)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H21F6NO2/c1-2-3-12-27(13-14-6-4-5-7-17(14)28)16-10-8-15(9-11-16)18(29,19(21,22)23)20(24,25)26/h4-11,28-29H,2-3,12-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50538083 (CHEMBL4638292) Show SMILES Nc1ncc(nc1C(=O)Nc1cnccc1N1CCC(CC1)C(O)=O)-c1ccccc1 Show InChI InChI=1S/C22H22N6O3/c23-20-19(26-16(13-25-20)14-4-2-1-3-5-14)21(29)27-17-12-24-9-6-18(17)28-10-7-15(8-11-28)22(30)31/h1-6,9,12-13,15H,7-8,10-11H2,(H2,23,25)(H,27,29)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK3beta (1 to 433 residues) expressed in mammalian expression system by Kinomescan method				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50252815 (2-{4-[Benzyl(butyl)amino]phenyl}-1,1,1,3,3,3-hexaf...) Show SMILES CCCCN(Cc1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H21F6NO/c1-2-3-13-27(14-15-7-5-4-6-8-15)17-11-9-16(10-12-17)18(28,19(21,22)23)20(24,25)26/h4-12,28H,2-3,13-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538085 (CHEMBL4634969) Show SMILES CC(C)Cn1cc(-c2ccncc2)c2ccncc12 Show InChI InChI=1S/C16H17N3/c1-12(2)10-19-11-15(13-3-6-17-7-4-13)14-5-8-18-9-16(14)19/h3-9,11-12H,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538097 (CHEMBL4641839) Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)Nc1cc(ccn1)-c1cn(C2CCOCC2)c2cnccc12 |r| Show InChI InChI=1S/C24H29N5O3/c1-16-13-28(14-17(2)32-16)24(30)27-23-11-18(3-8-26-23)21-15-29(19-5-9-31-10-6-19)22-12-25-7-4-20(21)22/h3-4,7-8,11-12,15-17,19H,5-6,9-10,13-14H2,1-2H3,(H,26,27,30)/t16-,17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50252938 (4-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...) Show SMILES CCCCN(Cc1cc(Cl)c(O)c(OC)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H22ClF6NO3/c1-3-4-9-29(12-13-10-16(22)18(30)17(11-13)32-2)15-7-5-14(6-8-15)19(31,20(23,24)25)21(26,27)28/h5-8,10-11,30-31H,3-4,9,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50508155 (CHEMBL4592038) Show SMILES CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(-c3ccc(cc3)C(F)(F)F)c(=O)n2-c2ccccn2)cc1 Show InChI InChI=1S/C33H29F3N4O4/c1-2-44-28-18-13-24(20-25(28)21-31(41)42)23-11-9-22(10-12-23)6-5-8-30-38-40(27-16-14-26(15-17-27)33(34,35)36)32(43)39(30)29-7-3-4-19-37-29/h3-4,7,9-20H,2,5-6,8,21H2,1H3,(H,41,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Inception Sciences Curated by ChEMBL					Assay Description Antagonist activity at recombinant human PPARdelta assessed as inhibition of GW0742-induced receptor activation after overnight incubation by cell-ba...				Bioorg Med Chem Lett 29: 503-508 (2019) Article DOI: 10.1016/j.bmcl.2018.12.045 BindingDB Entry DOI: 10.7270/Q2XK8JVQ
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50252908 (4-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluor...) Show SMILES CCCCN(Cc1ccc(O)c(Cl)c1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H20ClF6NO2/c1-2-3-10-28(12-13-4-9-17(29)16(21)11-13)15-7-5-14(6-8-15)18(30,19(22,23)24)20(25,26)27/h4-9,11,29-30H,2-3,10,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50508125 (CHEMBL4533138) Show SMILES CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(-c3ccc(cc3)C(F)(F)F)c(=O)n2CC)cc1 Show InChI InChI=1S/C30H30F3N3O4/c1-3-35-27(34-36(29(35)39)25-15-13-24(14-16-25)30(31,32)33)7-5-6-20-8-10-21(11-9-20)22-12-17-26(40-4-2)23(18-22)19-28(37)38/h8-18H,3-7,19H2,1-2H3,(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Inception Sciences Curated by ChEMBL					Assay Description Antagonist activity at recombinant human PPARalpha assessed as inhibition of GW7647-induced receptor activation after overnight incubation by cell-ba...				Bioorg Med Chem Lett 29: 503-508 (2019) Article DOI: 10.1016/j.bmcl.2018.12.045 BindingDB Entry DOI: 10.7270/Q2XK8JVQ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50508128 (CHEMBL4539262) Show SMILES CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(-c3ccc(cc3)C(F)(F)F)c(=O)n2C2CCCC2)cc1 Show InChI InChI=1S/C33H34F3N3O4/c1-2-43-29-19-14-24(20-25(29)21-31(40)41)23-12-10-22(11-13-23)6-5-9-30-37-39(32(42)38(30)27-7-3-4-8-27)28-17-15-26(16-18-28)33(34,35)36/h10-20,27H,2-9,21H2,1H3,(H,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Inception Sciences Curated by ChEMBL					Assay Description Antagonist activity at recombinant human PPARalpha assessed as inhibition of GW7647-induced receptor activation after overnight incubation by cell-ba...				Bioorg Med Chem Lett 29: 503-508 (2019) Article DOI: 10.1016/j.bmcl.2018.12.045 BindingDB Entry DOI: 10.7270/Q2XK8JVQ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50508132 (CHEMBL4546054) Show SMILES CCOc1ccc(cc1C(O)=O)-c1ccc(CCCc2nn(-c3ccc(cc3)C(F)(F)F)c(=O)n2-c2ccccc2F)cc1 |(50.46,-23.1,;49.13,-23.88,;47.79,-23.12,;46.47,-23.91,;45.12,-23.15,;43.8,-23.94,;43.82,-25.47,;45.16,-26.23,;46.48,-25.45,;47.82,-26.21,;49.15,-25.43,;47.84,-27.75,;42.49,-26.25,;42.5,-27.79,;41.18,-28.57,;39.84,-27.81,;38.51,-28.59,;37.17,-27.83,;35.84,-28.61,;34.5,-27.85,;34.02,-26.39,;32.48,-26.39,;31.7,-25.07,;32.47,-23.73,;31.69,-22.4,;30.14,-22.42,;29.39,-23.77,;30.17,-25.09,;29.36,-21.09,;30.12,-19.75,;27.82,-21.1,;28.58,-19.75,;32.01,-27.86,;30.55,-28.34,;33.27,-28.75,;33.27,-30.29,;31.94,-31.06,;31.94,-32.59,;33.27,-33.37,;34.61,-32.59,;34.61,-31.05,;35.94,-30.27,;39.82,-26.27,;41.14,-25.49,)| Show InChI InChI=1S/C33H27F4N3O4/c1-2-44-29-19-14-23(20-26(29)31(41)42)22-12-10-21(11-13-22)6-5-9-30-38-40(25-17-15-24(16-18-25)33(35,36)37)32(43)39(30)28-8-4-3-7-27(28)34/h3-4,7-8,10-20H,2,5-6,9H2,1H3,(H,41,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Inception Sciences Curated by ChEMBL					Assay Description Antagonist activity at recombinant human PPARalpha assessed as inhibition of GW7647-induced receptor activation after overnight incubation by cell-ba...				Bioorg Med Chem Lett 29: 503-508 (2019) Article DOI: 10.1016/j.bmcl.2018.12.045 BindingDB Entry DOI: 10.7270/Q2XK8JVQ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50508141 (CHEMBL4447577) Show SMILES CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(-c3ccc(cc3)C(F)(F)F)c(=O)n2-c2cccnc2)cc1 Show InChI InChI=1S/C33H29F3N4O4/c1-2-44-29-17-12-24(19-25(29)20-31(41)42)23-10-8-22(9-11-23)5-3-7-30-38-40(27-15-13-26(14-16-27)33(34,35)36)32(43)39(30)28-6-4-18-37-21-28/h4,6,8-19,21H,2-3,5,7,20H2,1H3,(H,41,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Inception Sciences Curated by ChEMBL					Assay Description Antagonist activity at recombinant human PPARdelta assessed as inhibition of GW0742-induced receptor activation after overnight incubation by cell-ba...				Bioorg Med Chem Lett 29: 503-508 (2019) Article DOI: 10.1016/j.bmcl.2018.12.045 BindingDB Entry DOI: 10.7270/Q2XK8JVQ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50508146 (CHEMBL4587456) Show SMILES CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(-c3ccc(cc3)C(F)(F)F)c(=O)n2C2CCCCC2)cc1 Show InChI InChI=1S/C34H36F3N3O4/c1-2-44-30-20-15-25(21-26(30)22-32(41)42)24-13-11-23(12-14-24)7-6-10-31-38-40(29-18-16-27(17-19-29)34(35,36)37)33(43)39(31)28-8-4-3-5-9-28/h11-21,28H,2-10,22H2,1H3,(H,41,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Inception Sciences Curated by ChEMBL					Assay Description Antagonist activity at recombinant human PPARdelta assessed as inhibition of GW0742-induced receptor activation after overnight incubation by cell-ba...				Bioorg Med Chem Lett 29: 503-508 (2019) Article DOI: 10.1016/j.bmcl.2018.12.045 BindingDB Entry DOI: 10.7270/Q2XK8JVQ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50508146 (CHEMBL4587456) Show SMILES CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(-c3ccc(cc3)C(F)(F)F)c(=O)n2C2CCCCC2)cc1 Show InChI InChI=1S/C34H36F3N3O4/c1-2-44-30-20-15-25(21-26(30)22-32(41)42)24-13-11-23(12-14-24)7-6-10-31-38-40(29-18-16-27(17-19-29)34(35,36)37)33(43)39(31)28-8-4-3-5-9-28/h11-21,28H,2-10,22H2,1H3,(H,41,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Inception Sciences Curated by ChEMBL					Assay Description Antagonist activity at recombinant human PPARalpha assessed as inhibition of GW7647-induced receptor activation after overnight incubation by cell-ba...				Bioorg Med Chem Lett 29: 503-508 (2019) Article DOI: 10.1016/j.bmcl.2018.12.045 BindingDB Entry DOI: 10.7270/Q2XK8JVQ
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50375654 (CHEMBL99203 | US11633415, Compound 5-iodotubercidi...) Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of DYRK1A (unknown origin)				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (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	75	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRalpha ligand binding domain				J Med Chem 51: 5758-65 (2008) Article DOI: 10.1021/jm800612u BindingDB Entry DOI: 10.7270/Q28052FN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50508150 (CHEMBL4547480) Show SMILES CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(-c3ccc(SC)cc3)c(=O)n2-c2ccccc2F)cc1 |(24.92,-17.53,;23.59,-18.32,;22.25,-17.56,;20.92,-18.35,;19.57,-17.59,;18.25,-18.38,;18.27,-19.9,;19.61,-20.67,;20.94,-19.89,;22.28,-20.65,;22.29,-22.19,;20.97,-22.97,;23.63,-22.94,;16.95,-20.69,;16.96,-22.23,;15.63,-23.01,;14.29,-22.25,;12.97,-23.03,;11.63,-22.27,;10.3,-23.05,;8.96,-22.29,;8.48,-20.83,;6.94,-20.83,;6.16,-19.5,;6.92,-18.17,;6.14,-16.84,;4.6,-16.85,;3.82,-15.53,;4.57,-14.19,;3.84,-18.2,;4.63,-19.52,;6.47,-22.3,;5.01,-22.78,;7.72,-23.19,;7.73,-24.73,;9.06,-25.5,;9.07,-27.05,;7.73,-27.82,;6.4,-27.05,;6.4,-25.5,;5.06,-24.73,;14.28,-20.71,;15.6,-19.93,)| Show InChI InChI=1S/C34H32FN3O4S/c1-3-42-31-20-15-25(21-26(31)22-33(39)40)24-13-11-23(12-14-24)7-6-10-32-36-38(27-16-18-28(43-2)19-17-27)34(41)37(32)30-9-5-4-8-29(30)35/h4-5,8-9,11-21H,3,6-7,10,22H2,1-2H3,(H,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Inception Sciences Curated by ChEMBL					Assay Description Antagonist activity at recombinant human PPARdelta assessed as inhibition of GW0742-induced receptor activation after overnight incubation by cell-ba...				Bioorg Med Chem Lett 29: 503-508 (2019) Article DOI: 10.1016/j.bmcl.2018.12.045 BindingDB Entry DOI: 10.7270/Q2XK8JVQ
					More data for this Ligand-Target Pair

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