Compile Data Set for Download or QSAR

Found 124 hits with Last Name = 'ittoop' and Initial = 'or'   

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
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143826 ((E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(\C=C\C(O)=O)cc12 Show InChI InChI=1S/C25H30O3/c1-24(2)12-13-25(3,4)21-14-16(8-10-20(21)24)18-6-5-7-22-19(18)15-17(28-22)9-11-23(26)27/h8-11,14-15,18H,5-7,12-13H2,1-4H3,(H,26,27)/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143826 ((E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(\C=C\C(O)=O)cc12 Show InChI InChI=1S/C25H30O3/c1-24(2)12-13-25(3,4)21-14-16(8-10-20(21)24)18-6-5-7-22-19(18)15-17(28-22)9-11-23(26)27/h8-11,14-15,18H,5-7,12-13H2,1-4H3,(H,26,27)/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143826 ((E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(\C=C\C(O)=O)cc12 Show InChI InChI=1S/C25H30O3/c1-24(2)12-13-25(3,4)21-14-16(8-10-20(21)24)18-6-5-7-22-19(18)15-17(28-22)9-11-23(26)27/h8-11,14-15,18H,5-7,12-13H2,1-4H3,(H,26,27)/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143827 ((E)-3-[4-(3-Methoxy-5,5,8,8-tetramethyl-5,6,7,8-te...) Show SMILES COc1cc2c(cc1C1CCCc3oc(\C=C\C(O)=O)cc13)C(C)(C)CCC2(C)C Show InChI InChI=1S/C26H32O4/c1-25(2)11-12-26(3,4)21-15-23(29-5)19(14-20(21)25)17-7-6-8-22-18(17)13-16(30-22)9-10-24(27)28/h9-10,13-15,17H,6-8,11-12H2,1-5H3,(H,27,28)/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143825 (5-[1-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-na...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(C=C3SC(O)=NC3=O)cc12 |w:21.22,c:27| Show InChI InChI=1S/C26H29NO3S/c1-25(2)10-11-26(3,4)20-12-15(8-9-19(20)25)17-6-5-7-21-18(17)13-16(30-21)14-22-23(28)27-24(29)31-22/h8-9,12-14,17H,5-7,10-11H2,1-4H3,(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143832 ((E)-3-[4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...) Show SMILES Cc1cc2c(cc1C1CCCc3oc(\C=C\C(O)=O)cc13)C(C)(C)CCC2(C)C Show InChI InChI=1S/C26H32O3/c1-16-13-21-22(26(4,5)12-11-25(21,2)3)15-19(16)18-7-6-8-23-20(18)14-17(29-23)9-10-24(27)28/h9-10,13-15,18H,6-8,11-12H2,1-5H3,(H,27,28)/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143833 ((E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2sc(\C=C\C(O)=O)cc12 Show InChI InChI=1S/C25H30O2S/c1-24(2)12-13-25(3,4)21-14-16(8-10-20(21)24)18-6-5-7-22-19(18)15-17(28-22)9-11-23(26)27/h8-11,14-15,18H,5-7,12-13H2,1-4H3,(H,26,27)/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50409928 (CHEMBL2113737) Show SMILES C\C(=C/C(O)=O)c1cc2C(CCCc2o1)c1ccc2c(c1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C26H32O3/c1-16(13-24(27)28)23-15-19-18(7-6-8-22(19)29-23)17-9-10-20-21(14-17)26(4,5)12-11-25(20,2)3/h9-10,13-15,18H,6-8,11-12H2,1-5H3,(H,27,28)/b16-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50409929 (CHEMBL2113736) Show SMILES CN1CC(c2cc(\C=C\C(O)=O)oc2C1)c1ccc2c(c1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C25H31NO3/c1-24(2)10-11-25(3,4)21-12-16(6-8-20(21)24)19-14-26(5)15-22-18(19)13-17(29-22)7-9-23(27)28/h6-9,12-13,19H,10-11,14-15H2,1-5H3,(H,27,28)/b9-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143826 ((E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(\C=C\C(O)=O)cc12 Show InChI InChI=1S/C25H30O3/c1-24(2)12-13-25(3,4)21-14-16(8-10-20(21)24)18-6-5-7-22-19(18)15-17(28-22)9-11-23(26)27/h8-11,14-15,18H,5-7,12-13H2,1-4H3,(H,26,27)/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50143824 ((E)-3-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1ccc(\C=C\C(O)=O)o1 Show InChI InChI=1S/C21H24O3/c1-20(2)11-12-21(3,4)17-13-14(5-8-16(17)20)18-9-6-15(24-18)7-10-19(22)23/h5-10,13H,11-12H2,1-4H3,(H,22,23)/b10-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor alpha (RARalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143821 ((E)-3-[4-(5,5,8,8-Tetramethyl-3-propoxy-5,6,7,8-te...) Show SMILES CCCOc1cc2c(cc1C1CCCc3oc(\C=C\C(O)=O)cc13)C(C)(C)CCC2(C)C Show InChI InChI=1S/C28H36O4/c1-6-14-31-25-17-23-22(27(2,3)12-13-28(23,4)5)16-21(25)19-8-7-9-24-20(19)15-18(32-24)10-11-26(29)30/h10-11,15-17,19H,6-9,12-14H2,1-5H3,(H,29,30)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143835 ((E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...) Show SMILES CC1(C)CCC(C)(C)c2cc(Cc3coc(\C=C\C(O)=O)c3)ccc12 Show InChI InChI=1S/C22H26O3/c1-21(2)9-10-22(3,4)19-13-15(5-7-18(19)21)11-16-12-17(25-14-16)6-8-20(23)24/h5-8,12-14H,9-11H2,1-4H3,(H,23,24)/b8-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143823 ((E)-3-[5-Methyl-4-(5,5,8,8-tetramethyl-5,6,7,8-tet...) Show SMILES Cc1oc(\C=C\C(O)=O)cc1Cc1ccc2c(c1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C23H28O3/c1-15-17(14-18(26-15)7-9-21(24)25)12-16-6-8-19-20(13-16)23(4,5)11-10-22(19,2)3/h6-9,13-14H,10-12H2,1-5H3,(H,24,25)/b9-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143831 ((E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(\C=C\C(O)=O)nc12 Show InChI InChI=1S/C24H29NO3/c1-23(2)12-13-24(3,4)18-14-15(8-9-17(18)23)16-6-5-7-19-22(16)25-20(28-19)10-11-21(26)27/h8-11,14,16H,5-7,12-13H2,1-4H3,(H,26,27)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143828 (3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-napht...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2sc(CCC(O)=O)cc12 Show InChI InChI=1S/C25H32O2S/c1-24(2)12-13-25(3,4)21-14-16(8-10-20(21)24)18-6-5-7-22-19(18)15-17(28-22)9-11-23(26)27/h8,10,14-15,18H,5-7,9,11-13H2,1-4H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50143830 (4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(cc12)C(O)=O Show InChI InChI=1S/C23H28O3/c1-22(2)10-11-23(3,4)18-12-14(8-9-17(18)22)15-6-5-7-19-16(15)13-20(26-19)21(24)25/h8-9,12-13,15H,5-7,10-11H2,1-4H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor alpha (RARalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50143825 (5-[1-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-na...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(C=C3SC(O)=NC3=O)cc12 |w:21.22,c:27| Show InChI InChI=1S/C26H29NO3S/c1-25(2)10-11-26(3,4)20-12-15(8-9-19(20)25)17-6-5-7-21-18(17)13-16(30-21)14-22-23(28)27-24(29)31-22/h8-9,12-14,17H,5-7,10-11H2,1-4H3,(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor alpha (RARalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50143823 ((E)-3-[5-Methyl-4-(5,5,8,8-tetramethyl-5,6,7,8-tet...) Show SMILES Cc1oc(\C=C\C(O)=O)cc1Cc1ccc2c(c1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C23H28O3/c1-15-17(14-18(26-15)7-9-21(24)25)12-16-6-8-19-20(13-16)23(4,5)11-10-22(19,2)3/h6-9,13-14H,10-12H2,1-5H3,(H,24,25)/b9-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor alpha (RARalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50143827 ((E)-3-[4-(3-Methoxy-5,5,8,8-tetramethyl-5,6,7,8-te...) Show SMILES COc1cc2c(cc1C1CCCc3oc(\C=C\C(O)=O)cc13)C(C)(C)CCC2(C)C Show InChI InChI=1S/C26H32O4/c1-25(2)11-12-26(3,4)21-15-23(29-5)19(14-20(21)25)17-7-6-8-22-18(17)13-16(30-22)9-10-24(27)28/h9-10,13-15,17H,6-8,11-12H2,1-5H3,(H,27,28)/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor alpha (RARalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143824 ((E)-3-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1ccc(\C=C\C(O)=O)o1 Show InChI InChI=1S/C21H24O3/c1-20(2)11-12-21(3,4)17-13-14(5-8-16(17)20)18-9-6-15(24-18)7-10-19(22)23/h5-10,13H,11-12H2,1-4H3,(H,22,23)/b10-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50143833 ((E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2sc(\C=C\C(O)=O)cc12 Show InChI InChI=1S/C25H30O2S/c1-24(2)12-13-25(3,4)21-14-16(8-10-20(21)24)18-6-5-7-22-19(18)15-17(28-22)9-11-23(26)27/h8-11,14-15,18H,5-7,12-13H2,1-4H3,(H,26,27)/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor alpha (RARalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50143828 (3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-napht...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2sc(CCC(O)=O)cc12 Show InChI InChI=1S/C25H32O2S/c1-24(2)12-13-25(3,4)21-14-16(8-10-20(21)24)18-6-5-7-22-19(18)15-17(28-22)9-11-23(26)27/h8,10,14-15,18H,5-7,9,11-13H2,1-4H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor alpha (RARalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50409928 (CHEMBL2113737) Show SMILES C\C(=C/C(O)=O)c1cc2C(CCCc2o1)c1ccc2c(c1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C26H32O3/c1-16(13-24(27)28)23-15-19-18(7-6-8-22(19)29-23)17-9-10-20-21(14-17)26(4,5)12-11-25(20,2)3/h9-10,13-15,18H,6-8,11-12H2,1-5H3,(H,27,28)/b16-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor alpha (RARalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50409929 (CHEMBL2113736) Show SMILES CN1CC(c2cc(\C=C\C(O)=O)oc2C1)c1ccc2c(c1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C25H31NO3/c1-24(2)10-11-25(3,4)21-12-16(6-8-20(21)24)19-14-26(5)15-22-18(19)13-17(29-22)7-9-23(27)28/h6-9,12-13,19H,10-11,14-15H2,1-5H3,(H,27,28)/b9-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor alpha (RARalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50143821 ((E)-3-[4-(5,5,8,8-Tetramethyl-3-propoxy-5,6,7,8-te...) Show SMILES CCCOc1cc2c(cc1C1CCCc3oc(\C=C\C(O)=O)cc13)C(C)(C)CCC2(C)C Show InChI InChI=1S/C28H36O4/c1-6-14-31-25-17-23-22(27(2,3)12-13-28(23,4)5)16-21(25)19-8-7-9-24-20(19)15-18(32-24)10-11-26(29)30/h10-11,15-17,19H,6-9,12-14H2,1-5H3,(H,29,30)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor alpha (RARalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50143831 ((E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(\C=C\C(O)=O)nc12 Show InChI InChI=1S/C24H29NO3/c1-23(2)12-13-24(3,4)18-14-15(8-9-17(18)23)16-6-5-7-19-22(16)25-20(28-19)10-11-21(26)27/h8-11,14,16H,5-7,12-13H2,1-4H3,(H,26,27)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor alpha (RARalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50143835 ((E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...) Show SMILES CC1(C)CCC(C)(C)c2cc(Cc3coc(\C=C\C(O)=O)c3)ccc12 Show InChI InChI=1S/C22H26O3/c1-21(2)9-10-22(3,4)19-13-15(5-7-18(19)21)11-16-12-17(25-14-16)6-8-20(23)24/h5-8,12-14H,9-11H2,1-4H3,(H,23,24)/b8-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor alpha (RARalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50143826 ((E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(\C=C\C(O)=O)cc12 Show InChI InChI=1S/C25H30O3/c1-24(2)12-13-25(3,4)21-14-16(8-10-20(21)24)18-6-5-7-22-19(18)15-17(28-22)9-11-23(26)27/h8-11,14-15,18H,5-7,12-13H2,1-4H3,(H,26,27)/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor alpha (RARalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50143832 ((E)-3-[4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...) Show SMILES Cc1cc2c(cc1C1CCCc3oc(\C=C\C(O)=O)cc13)C(C)(C)CCC2(C)C Show InChI InChI=1S/C26H32O3/c1-16-13-21-22(26(4,5)12-11-25(21,2)3)15-19(16)18-7-6-8-23-20(18)14-17(29-23)9-10-24(27)28/h9-10,13-15,18H,6-8,11-12H2,1-5H3,(H,27,28)/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor alpha (RARalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143834 (5-[1-[5-(3-Bromo-phenyl)-furan-2-yl]-meth-(Z)-ylid...) Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(o1)-c1cccc(Br)c1 |w:7.8,t:1| Show InChI InChI=1S/C14H8BrNO3S/c15-9-3-1-2-8(6-9)11-5-4-10(19-11)7-12-13(17)16-14(18)20-12/h1-7H,(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143830 (4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(cc12)C(O)=O Show InChI InChI=1S/C23H28O3/c1-22(2)10-11-23(3,4)18-12-14(8-9-17(18)22)15-6-5-7-19-16(15)13-20(26-19)21(24)25/h8-9,12-13,15H,5-7,10-11H2,1-4H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143836 (5-[1-[5-(3-Trifluoromethyl-phenyl)-furan-2-yl]-met...) Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(o1)-c1cccc(c1)C(F)(F)F |w:7.8,t:1| Show InChI InChI=1S/C15H8F3NO3S/c16-15(17,18)9-3-1-2-8(6-9)11-5-4-10(22-11)7-12-13(20)19-14(21)23-12/h1-7H,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50143821 ((E)-3-[4-(5,5,8,8-Tetramethyl-3-propoxy-5,6,7,8-te...) Show SMILES CCCOc1cc2c(cc1C1CCCc3oc(\C=C\C(O)=O)cc13)C(C)(C)CCC2(C)C Show InChI InChI=1S/C28H36O4/c1-6-14-31-25-17-23-22(27(2,3)12-13-28(23,4)5)16-21(25)19-8-7-9-24-20(19)15-18(32-24)10-11-26(29)30/h10-11,15-17,19H,6-9,12-14H2,1-5H3,(H,29,30)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration for lipogenesis induced by retinoic acid receptor alpha in C3H10T1/2 clone 8 fibroblast cells				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50099485 (2-(4-{2-[1-(2-Biphenyl-4-yl-ethyl)-3-(4-isopropyl-...) Show SMILES CC(C)c1ccc(NC(=O)N(CCc2ccc(SC(C)(C)C(O)=O)cc2)CCc2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C36H40N2O3S/c1-26(2)29-16-18-32(19-17-29)37-35(41)38(24-22-27-10-14-31(15-11-27)30-8-6-5-7-9-30)25-23-28-12-20-33(21-13-28)42-36(3,4)34(39)40/h5-21,26H,22-25H2,1-4H3,(H,37,41)(H,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR alpha ligand binding domain				Bioorg Med Chem Lett 11: 1225-7 (2001) BindingDB Entry DOI: 10.7270/Q2Z31XX0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50099486 (2-(4-{2-[1-(2-Biphenyl-4-yl-ethyl)-3-(3,5-dichloro...) Show SMILES CC(C)(Sc1ccc(CCN(CCc2ccc(cc2)-c2ccccc2)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C(O)=O Show InChI InChI=1S/C33H32Cl2N2O3S/c1-33(2,31(38)39)41-30-14-10-24(11-15-30)17-19-37(32(40)36-29-21-27(34)20-28(35)22-29)18-16-23-8-12-26(13-9-23)25-6-4-3-5-7-25/h3-15,20-22H,16-19H2,1-2H3,(H,36,40)(H,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR delta ligand binding domain				Bioorg Med Chem Lett 11: 1225-7 (2001) BindingDB Entry DOI: 10.7270/Q2Z31XX0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50099485 (2-(4-{2-[1-(2-Biphenyl-4-yl-ethyl)-3-(4-isopropyl-...) Show SMILES CC(C)c1ccc(NC(=O)N(CCc2ccc(SC(C)(C)C(O)=O)cc2)CCc2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C36H40N2O3S/c1-26(2)29-16-18-32(19-17-29)37-35(41)38(24-22-27-10-14-31(15-11-27)30-8-6-5-7-9-30)25-23-28-12-20-33(21-13-28)42-36(3,4)34(39)40/h5-21,26H,22-25H2,1-4H3,(H,37,41)(H,39,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR gamma ligand binding domain				Bioorg Med Chem Lett 11: 1225-7 (2001) BindingDB Entry DOI: 10.7270/Q2Z31XX0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50099485 (2-(4-{2-[1-(2-Biphenyl-4-yl-ethyl)-3-(4-isopropyl-...) Show SMILES CC(C)c1ccc(NC(=O)N(CCc2ccc(SC(C)(C)C(O)=O)cc2)CCc2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C36H40N2O3S/c1-26(2)29-16-18-32(19-17-29)37-35(41)38(24-22-27-10-14-31(15-11-27)30-8-6-5-7-9-30)25-23-28-12-20-33(21-13-28)42-36(3,4)34(39)40/h5-21,26H,22-25H2,1-4H3,(H,37,41)(H,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR delta ligand binding domain				Bioorg Med Chem Lett 11: 1225-7 (2001) BindingDB Entry DOI: 10.7270/Q2Z31XX0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50099487 (2-(4-{2-[1-(2-Biphenyl-4-yl-ethyl)-3-cyclohexyl-ur...) Show SMILES CC(C)(Sc1ccc(CCN(CCc2ccc(cc2)-c2ccccc2)C(=O)NC2CCCCC2)cc1)C(O)=O Show InChI InChI=1S/C33H40N2O3S/c1-33(2,31(36)37)39-30-19-15-26(16-20-30)22-24-35(32(38)34-29-11-7-4-8-12-29)23-21-25-13-17-28(18-14-25)27-9-5-3-6-10-27/h3,5-6,9-10,13-20,29H,4,7-8,11-12,21-24H2,1-2H3,(H,34,38)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR delta ligand binding domain				Bioorg Med Chem Lett 11: 1225-7 (2001) BindingDB Entry DOI: 10.7270/Q2Z31XX0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50099484 (2-(4-{2-[1-(2-Biphenyl-4-yl-ethyl)-3-(2,4-dimethox...) Show SMILES COc1ccc(NC(=O)N(CCc2ccc(SC(C)(C)C(O)=O)cc2)CCc2ccc(cc2)-c2ccccc2)c(OC)c1 Show InChI InChI=1S/C35H38N2O5S/c1-35(2,33(38)39)43-30-17-12-26(13-18-30)21-23-37(34(40)36-31-19-16-29(41-3)24-32(31)42-4)22-20-25-10-14-28(15-11-25)27-8-6-5-7-9-27/h5-19,24H,20-23H2,1-4H3,(H,36,40)(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR gamma ligand binding domain				Bioorg Med Chem Lett 11: 1225-7 (2001) BindingDB Entry DOI: 10.7270/Q2Z31XX0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50099488 (2-(4-{2-[3-(3-Cyano-phenyl)-1-(4-cyclohexyl-butyl)...) Show SMILES CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)Nc2cccc(c2)C#N)cc1)C(O)=O Show InChI InChI=1S/C30H39N3O3S/c1-30(2,28(34)35)37-27-16-14-24(15-17-27)18-20-33(19-7-6-11-23-9-4-3-5-10-23)29(36)32-26-13-8-12-25(21-26)22-31/h8,12-17,21,23H,3-7,9-11,18-20H2,1-2H3,(H,32,36)(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR alpha ligand binding domain				Bioorg Med Chem Lett 11: 1225-7 (2001) BindingDB Entry DOI: 10.7270/Q2Z31XX0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50099489 (2-(4-{2-[1-(4-Cyclohexyl-butyl)-3-(2-methoxy-pheny...) Show SMILES COc1ccccc1NC(=O)N(CCCCC1CCCCC1)CCc1ccc(SC(C)(C)C(O)=O)cc1 Show InChI InChI=1S/C30H42N2O4S/c1-30(2,28(33)34)37-25-18-16-24(17-19-25)20-22-32(21-10-9-13-23-11-5-4-6-12-23)29(35)31-26-14-7-8-15-27(26)36-3/h7-8,14-19,23H,4-6,9-13,20-22H2,1-3H3,(H,31,35)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR alpha ligand binding domain				Bioorg Med Chem Lett 11: 1225-7 (2001) BindingDB Entry DOI: 10.7270/Q2Z31XX0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50099487 (2-(4-{2-[1-(2-Biphenyl-4-yl-ethyl)-3-cyclohexyl-ur...) Show SMILES CC(C)(Sc1ccc(CCN(CCc2ccc(cc2)-c2ccccc2)C(=O)NC2CCCCC2)cc1)C(O)=O Show InChI InChI=1S/C33H40N2O3S/c1-33(2,31(36)37)39-30-19-15-26(16-20-30)22-24-35(32(38)34-29-11-7-4-8-12-29)23-21-25-13-17-28(18-14-25)27-9-5-3-6-10-27/h3,5-6,9-10,13-20,29H,4,7-8,11-12,21-24H2,1-2H3,(H,34,38)(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR gamma ligand binding domain				Bioorg Med Chem Lett 11: 1225-7 (2001) BindingDB Entry DOI: 10.7270/Q2Z31XX0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Mus musculus)	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(O)=O Show InChI InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Activation of murine PPAR alpha ligand binding domain				Bioorg Med Chem Lett 11: 1225-7 (2001) BindingDB Entry DOI: 10.7270/Q2Z31XX0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50099490 (2-(4-{2-[1-(2-Biphenyl-4-yl-ethyl)-3-(2-methoxy-5-...) Show SMILES COc1ccc(C)cc1NC(=O)N(CCc1ccc(SC(C)(C)C(O)=O)cc1)CCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C35H38N2O4S/c1-25-10-19-32(41-4)31(24-25)36-34(40)37(22-20-26-11-15-29(16-12-26)28-8-6-5-7-9-28)23-21-27-13-17-30(18-14-27)42-35(2,3)33(38)39/h5-19,24H,20-23H2,1-4H3,(H,36,40)(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR gamma ligand binding domain				Bioorg Med Chem Lett 11: 1225-7 (2001) BindingDB Entry DOI: 10.7270/Q2Z31XX0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(O)=O Show InChI InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR delta ligand binding domain				Bioorg Med Chem Lett 11: 1225-7 (2001) BindingDB Entry DOI: 10.7270/Q2Z31XX0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50099484 (2-(4-{2-[1-(2-Biphenyl-4-yl-ethyl)-3-(2,4-dimethox...) Show SMILES COc1ccc(NC(=O)N(CCc2ccc(SC(C)(C)C(O)=O)cc2)CCc2ccc(cc2)-c2ccccc2)c(OC)c1 Show InChI InChI=1S/C35H38N2O5S/c1-35(2,33(38)39)43-30-17-12-26(13-18-30)21-23-37(34(40)36-31-19-16-29(41-3)24-32(31)42-4)22-20-25-10-14-28(15-11-25)27-8-6-5-7-9-27/h5-19,24H,20-23H2,1-4H3,(H,36,40)(H,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR delta ligand binding domain				Bioorg Med Chem Lett 11: 1225-7 (2001) BindingDB Entry DOI: 10.7270/Q2Z31XX0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM28799 (2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...) Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR delta ligand binding domain				Bioorg Med Chem Lett 11: 1225-7 (2001) BindingDB Entry DOI: 10.7270/Q2Z31XX0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(O)=O Show InChI InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Activation of murine PPAR gamma ligand binding domain				Bioorg Med Chem Lett 11: 1225-7 (2001) BindingDB Entry DOI: 10.7270/Q2Z31XX0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28799 (2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...) Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR gamma ligand binding domain				Bioorg Med Chem Lett 11: 1225-7 (2001) BindingDB Entry DOI: 10.7270/Q2Z31XX0
					More data for this Ligand-Target Pair

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