Compile Data Set for Download or QSAR

Found 32 hits with Last Name = 'yakushiji' and Initial = 'n'   

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-beta (Homo sapiens (Human))	BDBM50218464 ((Z)-4-(5,7,7,10,10-pentamethyl-2-nitro-7,8,9,10-te...) Show SMILES CN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)[N+]([O-])=O |t:9| Show InChI InChI=1S/C29H29N3O4/c1-28(2)12-13-29(3,4)22-16-25-20(15-21(22)28)26(17-6-8-18(9-7-17)27(33)34)30-23-14-19(32(35)36)10-11-24(23)31(25)5/h6-11,14-16H,12-13H2,1-5H3,(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi...				Bioorg Med Chem Lett 19: 1001-3 (2009) Article DOI: 10.1016/j.bmcl.2008.11.086 BindingDB Entry DOI: 10.7270/Q2TH8MJW
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50218464 ((Z)-4-(5,7,7,10,10-pentamethyl-2-nitro-7,8,9,10-te...) Show SMILES CN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)[N+]([O-])=O |t:9| Show InChI InChI=1S/C29H29N3O4/c1-28(2)12-13-29(3,4)22-16-25-20(15-21(22)28)26(17-6-8-18(9-7-17)27(33)34)30-23-14-19(32(35)36)10-11-24(23)31(25)5/h6-11,14-16H,12-13H2,1-5H3,(H,33,34)	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	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at RXRalpha (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activ...				Bioorg Med Chem Lett 19: 1001-3 (2009) Article DOI: 10.1016/j.bmcl.2008.11.086 BindingDB Entry DOI: 10.7270/Q2TH8MJW
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-gamma (Homo sapiens (Human))	BDBM50218464 ((Z)-4-(5,7,7,10,10-pentamethyl-2-nitro-7,8,9,10-te...) Show SMILES CN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)[N+]([O-])=O |t:9| Show InChI InChI=1S/C29H29N3O4/c1-28(2)12-13-29(3,4)22-16-25-20(15-21(22)28)26(17-6-8-18(9-7-17)27(33)34)30-23-14-19(32(35)36)10-11-24(23)31(25)5/h6-11,14-16H,12-13H2,1-5H3,(H,33,34)	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	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at RXRgamma (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activ...				Bioorg Med Chem Lett 19: 1001-3 (2009) Article DOI: 10.1016/j.bmcl.2008.11.086 BindingDB Entry DOI: 10.7270/Q2TH8MJW
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-beta (Homo sapiens (Human))	BDBM50256177 (6-(N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)N(c1ccc(cn1)C(O)=O)S(=O)(=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H27F3N2O4S/c1-25(2)13-14-26(3,4)22-15-19(8-11-21(22)25)32(23-12-5-17(16-31-23)24(33)34)37(35,36)20-9-6-18(7-10-20)27(28,29)30/h5-12,15-16H,13-14H2,1-4H3,(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi...				Bioorg Med Chem Lett 19: 1001-3 (2009) Article DOI: 10.1016/j.bmcl.2008.11.086 BindingDB Entry DOI: 10.7270/Q2TH8MJW
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-beta (Homo sapiens (Human))	BDBM50256176 (6-(4-chloro-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahy...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)N(c1ccc(cn1)C(O)=O)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H27ClN2O4S/c1-25(2)13-14-26(3,4)22-15-19(8-11-21(22)25)29(23-12-5-17(16-28-23)24(30)31)34(32,33)20-9-6-18(27)7-10-20/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi...				Bioorg Med Chem Lett 19: 1001-3 (2009) Article DOI: 10.1016/j.bmcl.2008.11.086 BindingDB Entry DOI: 10.7270/Q2TH8MJW
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50256175 (6-(4-methoxy-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrah...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)C(O)=O Show InChI InChI=1S/C27H30N2O5S/c1-26(2)14-15-27(3,4)23-16-19(7-12-22(23)26)29(24-13-6-18(17-28-24)25(30)31)35(32,33)21-10-8-20(34-5)9-11-21/h6-13,16-17H,14-15H2,1-5H3,(H,30,31)	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	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at RXRalpha (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activ...				Bioorg Med Chem Lett 19: 1001-3 (2009) Article DOI: 10.1016/j.bmcl.2008.11.086 BindingDB Entry DOI: 10.7270/Q2TH8MJW
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-gamma (Homo sapiens (Human))	BDBM50256177 (6-(N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)N(c1ccc(cn1)C(O)=O)S(=O)(=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H27F3N2O4S/c1-25(2)13-14-26(3,4)22-15-19(8-11-21(22)25)32(23-12-5-17(16-31-23)24(33)34)37(35,36)20-9-6-18(7-10-20)27(28,29)30/h5-12,15-16H,13-14H2,1-4H3,(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at RXRgamma (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activ...				Bioorg Med Chem Lett 19: 1001-3 (2009) Article DOI: 10.1016/j.bmcl.2008.11.086 BindingDB Entry DOI: 10.7270/Q2TH8MJW
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-beta (Homo sapiens (Human))	BDBM50256174 (6-(4-methyl-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahy...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)C(O)=O Show InChI InChI=1S/C27H30N2O4S/c1-18-6-10-21(11-7-18)34(32,33)29(24-13-8-19(17-28-24)25(30)31)20-9-12-22-23(16-20)27(4,5)15-14-26(22,2)3/h6-13,16-17H,14-15H2,1-5H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi...				Bioorg Med Chem Lett 19: 1001-3 (2009) Article DOI: 10.1016/j.bmcl.2008.11.086 BindingDB Entry DOI: 10.7270/Q2TH8MJW
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50256177 (6-(N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)N(c1ccc(cn1)C(O)=O)S(=O)(=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H27F3N2O4S/c1-25(2)13-14-26(3,4)22-15-19(8-11-21(22)25)32(23-12-5-17(16-31-23)24(33)34)37(35,36)20-9-6-18(7-10-20)27(28,29)30/h5-12,15-16H,13-14H2,1-4H3,(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at RXRalpha (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activ...				Bioorg Med Chem Lett 19: 1001-3 (2009) Article DOI: 10.1016/j.bmcl.2008.11.086 BindingDB Entry DOI: 10.7270/Q2TH8MJW
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-gamma (Homo sapiens (Human))	BDBM50256174 (6-(4-methyl-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahy...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)C(O)=O Show InChI InChI=1S/C27H30N2O4S/c1-18-6-10-21(11-7-18)34(32,33)29(24-13-8-19(17-28-24)25(30)31)20-9-12-22-23(16-20)27(4,5)15-14-26(22,2)3/h6-13,16-17H,14-15H2,1-5H3,(H,30,31)	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	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at RXRgamma (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activ...				Bioorg Med Chem Lett 19: 1001-3 (2009) Article DOI: 10.1016/j.bmcl.2008.11.086 BindingDB Entry DOI: 10.7270/Q2TH8MJW
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-beta (Homo sapiens (Human))	BDBM50256175 (6-(4-methoxy-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrah...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)C(O)=O Show InChI InChI=1S/C27H30N2O5S/c1-26(2)14-15-27(3,4)23-16-19(7-12-22(23)26)29(24-13-6-18(17-28-24)25(30)31)35(32,33)21-10-8-20(34-5)9-11-21/h6-13,16-17H,14-15H2,1-5H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi...				Bioorg Med Chem Lett 19: 1001-3 (2009) Article DOI: 10.1016/j.bmcl.2008.11.086 BindingDB Entry DOI: 10.7270/Q2TH8MJW
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50256176 (6-(4-chloro-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahy...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)N(c1ccc(cn1)C(O)=O)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H27ClN2O4S/c1-25(2)13-14-26(3,4)22-15-19(8-11-21(22)25)29(23-12-5-17(16-28-23)24(30)31)34(32,33)20-9-6-18(27)7-10-20/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)	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	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at RXRalpha (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activ...				Bioorg Med Chem Lett 19: 1001-3 (2009) Article DOI: 10.1016/j.bmcl.2008.11.086 BindingDB Entry DOI: 10.7270/Q2TH8MJW
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-gamma (Homo sapiens (Human))	BDBM50256176 (6-(4-chloro-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahy...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)N(c1ccc(cn1)C(O)=O)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H27ClN2O4S/c1-25(2)13-14-26(3,4)22-15-19(8-11-21(22)25)29(23-12-5-17(16-28-23)24(30)31)34(32,33)20-9-6-18(27)7-10-20/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)	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	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at RXRgamma (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activ...				Bioorg Med Chem Lett 19: 1001-3 (2009) Article DOI: 10.1016/j.bmcl.2008.11.086 BindingDB Entry DOI: 10.7270/Q2TH8MJW
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50256174 (6-(4-methyl-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahy...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)C(O)=O Show InChI InChI=1S/C27H30N2O4S/c1-18-6-10-21(11-7-18)34(32,33)29(24-13-8-19(17-28-24)25(30)31)20-9-12-22-23(16-20)27(4,5)15-14-26(22,2)3/h6-13,16-17H,14-15H2,1-5H3,(H,30,31)	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	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at RXRalpha (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activ...				Bioorg Med Chem Lett 19: 1001-3 (2009) Article DOI: 10.1016/j.bmcl.2008.11.086 BindingDB Entry DOI: 10.7270/Q2TH8MJW
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-gamma (Homo sapiens (Human))	BDBM50256175 (6-(4-methoxy-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrah...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)C(O)=O Show InChI InChI=1S/C27H30N2O5S/c1-26(2)14-15-27(3,4)23-16-19(7-12-22(23)26)29(24-13-6-18(17-28-24)25(30)31)35(32,33)21-10-8-20(34-5)9-11-21/h6-13,16-17H,14-15H2,1-5H3,(H,30,31)	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	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at RXRgamma (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activ...				Bioorg Med Chem Lett 19: 1001-3 (2009) Article DOI: 10.1016/j.bmcl.2008.11.086 BindingDB Entry DOI: 10.7270/Q2TH8MJW
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50256123 (6-(N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth...) Show SMILES CCCCS(=O)(=O)N(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)C(O)=O Show InChI InChI=1S/C24H32N2O4S/c1-6-7-14-31(29,30)26(21-11-8-17(16-25-21)22(27)28)18-9-10-19-20(15-18)24(4,5)13-12-23(19,2)3/h8-11,15-16H,6-7,12-14H2,1-5H3,(H,27,28)	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at RXRalpha (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activ...				Bioorg Med Chem Lett 19: 1001-3 (2009) Article DOI: 10.1016/j.bmcl.2008.11.086 BindingDB Entry DOI: 10.7270/Q2TH8MJW
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-gamma (Homo sapiens (Human))	BDBM50256275 (6-(4-nitro-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahyd...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)N(c1ccc(cn1)C(O)=O)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C26H27N3O6S/c1-25(2)13-14-26(3,4)22-15-19(8-11-21(22)25)28(23-12-5-17(16-27-23)24(30)31)36(34,35)20-9-6-18(7-10-20)29(32)33/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at RXRgamma (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activ...				Bioorg Med Chem Lett 19: 1001-3 (2009) Article DOI: 10.1016/j.bmcl.2008.11.086 BindingDB Entry DOI: 10.7270/Q2TH8MJW
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-beta (Homo sapiens (Human))	BDBM50256275 (6-(4-nitro-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahyd...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)N(c1ccc(cn1)C(O)=O)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C26H27N3O6S/c1-25(2)13-14-26(3,4)22-15-19(8-11-21(22)25)28(23-12-5-17(16-27-23)24(30)31)36(34,35)20-9-6-18(7-10-20)29(32)33/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi...				Bioorg Med Chem Lett 19: 1001-3 (2009) Article DOI: 10.1016/j.bmcl.2008.11.086 BindingDB Entry DOI: 10.7270/Q2TH8MJW
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50256275 (6-(4-nitro-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahyd...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)N(c1ccc(cn1)C(O)=O)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C26H27N3O6S/c1-25(2)13-14-26(3,4)22-15-19(8-11-21(22)25)28(23-12-5-17(16-27-23)24(30)31)36(34,35)20-9-6-18(7-10-20)29(32)33/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at RXRalpha (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activ...				Bioorg Med Chem Lett 19: 1001-3 (2009) Article DOI: 10.1016/j.bmcl.2008.11.086 BindingDB Entry DOI: 10.7270/Q2TH8MJW
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-gamma (Homo sapiens (Human))	BDBM50256124 (6-(N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)N(c1ccc(cn1)C(O)=O)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H28N2O4S/c1-25(2)14-15-26(3,4)22-16-19(11-12-21(22)25)28(23-13-10-18(17-27-23)24(29)30)33(31,32)20-8-6-5-7-9-20/h5-13,16-17H,14-15H2,1-4H3,(H,29,30)	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at RXRgamma (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activ...				Bioorg Med Chem Lett 19: 1001-3 (2009) Article DOI: 10.1016/j.bmcl.2008.11.086 BindingDB Entry DOI: 10.7270/Q2TH8MJW
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-beta (Homo sapiens (Human))	BDBM50256124 (6-(N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)N(c1ccc(cn1)C(O)=O)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H28N2O4S/c1-25(2)14-15-26(3,4)22-16-19(11-12-21(22)25)28(23-13-10-18(17-27-23)24(29)30)33(31,32)20-8-6-5-7-9-20/h5-13,16-17H,14-15H2,1-4H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi...				Bioorg Med Chem Lett 19: 1001-3 (2009) Article DOI: 10.1016/j.bmcl.2008.11.086 BindingDB Entry DOI: 10.7270/Q2TH8MJW
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50256124 (6-(N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)N(c1ccc(cn1)C(O)=O)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H28N2O4S/c1-25(2)14-15-26(3,4)22-16-19(11-12-21(22)25)28(23-13-10-18(17-27-23)24(29)30)33(31,32)20-8-6-5-7-9-20/h5-13,16-17H,14-15H2,1-4H3,(H,29,30)	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at RXRalpha (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activ...				Bioorg Med Chem Lett 19: 1001-3 (2009) Article DOI: 10.1016/j.bmcl.2008.11.086 BindingDB Entry DOI: 10.7270/Q2TH8MJW
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-gamma (Homo sapiens (Human))	BDBM50256123 (6-(N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth...) Show SMILES CCCCS(=O)(=O)N(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)C(O)=O Show InChI InChI=1S/C24H32N2O4S/c1-6-7-14-31(29,30)26(21-11-8-17(16-25-21)22(27)28)18-9-10-19-20(15-18)24(4,5)13-12-23(19,2)3/h8-11,15-16H,6-7,12-14H2,1-5H3,(H,27,28)	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at RXRgamma (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activ...				Bioorg Med Chem Lett 19: 1001-3 (2009) Article DOI: 10.1016/j.bmcl.2008.11.086 BindingDB Entry DOI: 10.7270/Q2TH8MJW
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-beta (Homo sapiens (Human))	BDBM50256123 (6-(N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth...) Show SMILES CCCCS(=O)(=O)N(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)C(O)=O Show InChI InChI=1S/C24H32N2O4S/c1-6-7-14-31(29,30)26(21-11-8-17(16-25-21)22(27)28)18-9-10-19-20(15-18)24(4,5)13-12-23(19,2)3/h8-11,15-16H,6-7,12-14H2,1-5H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi...				Bioorg Med Chem Lett 19: 1001-3 (2009) Article DOI: 10.1016/j.bmcl.2008.11.086 BindingDB Entry DOI: 10.7270/Q2TH8MJW
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50391814 (CHEMBL2146901) Show SMILES Cc1cc2c(cc1-n1nnc3cc(ccc13)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C22H25N3O2/c1-13-10-15-16(22(4,5)9-8-21(15,2)3)12-19(13)25-18-7-6-14(20(26)27)11-17(18)23-24-25/h6-7,10-12H,8-9H2,1-5H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	143	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Partial agonist activity at RXRalpha (unknown origin) expressed in COS1 cells after 18 hrs by luciferase reporter gene assay				J Med Chem 56: 1865-77 (2013) Article DOI: 10.1021/jm400033f BindingDB Entry DOI: 10.7270/Q2348MR8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50429865 (CHEMBL2332890) Show SMILES Cc1cc2c(cc1-n1ccc3cc(ccc13)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C24H27NO2/c1-15-12-18-19(24(4,5)10-9-23(18,2)3)14-21(15)25-11-8-16-13-17(22(26)27)6-7-20(16)25/h6-8,11-14H,9-10H2,1-5H3,(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	n/a	n/a	n/a	n/a	83	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Partial agonist activity at RXRalpha (unknown origin) expressed in COS1 cells after 18 hrs by luciferase reporter gene assay				J Med Chem 56: 1865-77 (2013) Article DOI: 10.1021/jm400033f BindingDB Entry DOI: 10.7270/Q2348MR8
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50429864 (CHEMBL2332886) Show SMILES Cc1cc2c(cc1-n1c(N)nc3cc(ccc13)C(O)=O)C(C)(C)CCC2(C)C |(24.03,-22.65,;22.68,-21.9,;21.37,-22.7,;20.02,-21.95,;19.98,-20.42,;21.31,-19.62,;22.65,-20.36,;23.97,-19.57,;25.39,-20.16,;25.73,-21.66,;26.39,-19,;25.6,-17.68,;26.04,-16.21,;24.99,-15.09,;23.49,-15.43,;23.05,-16.91,;24.1,-18.03,;25.44,-13.61,;26.94,-13.26,;24.38,-12.48,;18.66,-19.65,;17.6,-18.53,;19.6,-18.48,;17.32,-20.47,;17.35,-22.01,;18.68,-22.77,;19.73,-23.89,;17.73,-23.95,)| Show InChI InChI=1S/C23H27N3O2/c1-13-10-15-16(23(4,5)9-8-22(15,2)3)12-19(13)26-18-7-6-14(20(27)28)11-17(18)25-21(26)24/h6-7,10-12H,8-9H2,1-5H3,(H2,24,25)(H,27,28)	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	n/a	n/a	155	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Partial agonist activity at RXRalpha (unknown origin) expressed in COS1 cells after 18 hrs by luciferase reporter gene assay				J Med Chem 56: 1865-77 (2013) Article DOI: 10.1021/jm400033f BindingDB Entry DOI: 10.7270/Q2348MR8
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50429863 (CHEMBL2332885) Show SMILES Cc1cc2c(cc1-n1cnc3cc(ccc13)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C23H26N2O2/c1-14-10-16-17(23(4,5)9-8-22(16,2)3)12-20(14)25-13-24-18-11-15(21(26)27)6-7-19(18)25/h6-7,10-13H,8-9H2,1-5H3,(H,26,27)	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	n/a	n/a	633	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Partial agonist activity at RXRalpha (unknown origin) expressed in COS1 cells after 18 hrs by luciferase reporter gene assay				J Med Chem 56: 1865-77 (2013) Article DOI: 10.1021/jm400033f BindingDB Entry DOI: 10.7270/Q2348MR8
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50429862 (CHEMBL2146900) Show SMILES Cc1nc2cc(ccc2n1-c1cc2c(cc1C)C(C)(C)CCC2(C)C)C(O)=O |(13.72,1.99,;13.41,.48,;14.44,-.67,;13.67,-2.01,;14.15,-3.47,;13.12,-4.61,;11.61,-4.29,;11.13,-2.83,;12.16,-1.68,;12.01,-.16,;10.67,.61,;9.34,-.16,;8.01,.61,;8.01,2.15,;9.33,2.92,;10.66,2.16,;12,2.93,;6.67,2.93,;5.89,4.27,;7.44,4.27,;5.35,2.15,;5.35,.61,;6.67,-.16,;7.43,-1.49,;5.9,-1.48,;13.61,-6.08,;12.58,-7.23,;15.12,-6.4,)| Show InChI InChI=1S/C24H28N2O2/c1-14-11-17-18(24(5,6)10-9-23(17,3)4)13-21(14)26-15(2)25-19-12-16(22(27)28)7-8-20(19)26/h7-8,11-13H,9-10H2,1-6H3,(H,27,28)	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	n/a	n/a	367	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Partial agonist activity at RXRalpha (unknown origin) expressed in COS1 cells after 18 hrs by luciferase reporter gene assay				J Med Chem 56: 1865-77 (2013) Article DOI: 10.1021/jm400033f BindingDB Entry DOI: 10.7270/Q2348MR8
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50391814 (CHEMBL2146901) Show SMILES Cc1cc2c(cc1-n1nnc3cc(ccc13)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C22H25N3O2/c1-13-10-15-16(22(4,5)9-8-21(15,2)3)12-19(13)25-18-7-6-14(20(26)27)11-17(18)23-24-25/h6-7,10-12H,8-9H2,1-5H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	143	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Partial agonist activity at RXRalpha expressed in human Cos1 cells after 18 hrs by SEAP reporter gene assay				ACS Med Chem Lett 3: 427-432 (2012) Article DOI: 10.1021/ml300055n BindingDB Entry DOI: 10.7270/Q2C24XH4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50324896 (6-[N-Ethyl(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-...) Show SMILES CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)C(O)=O Show InChI InChI=1S/C22H28N2O2/c1-6-24(19-10-7-15(14-23-19)20(25)26)16-8-9-17-18(13-16)22(4,5)12-11-21(17,2)3/h7-10,13-14H,6,11-12H2,1-5H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.80	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Partial agonist activity at RXRalpha (unknown origin) expressed in COS1 cells after 18 hrs by luciferase reporter gene assay				J Med Chem 56: 1865-77 (2013) Article DOI: 10.1021/jm400033f BindingDB Entry DOI: 10.7270/Q2348MR8
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50429866 (CHEMBL2332887) Show SMILES Cc1cc2c(cc1-n1c(nc3cc(ccc13)C(O)=O)C(F)(F)F)C(C)(C)CCC2(C)C |(23.28,-13.29,;21.95,-14.06,;20.61,-13.28,;19.28,-14.05,;19.28,-15.59,;20.6,-16.36,;21.94,-15.6,;23.27,-16.37,;23.43,-17.9,;24.94,-18.23,;25.71,-16.9,;27.22,-16.58,;27.7,-15.12,;26.67,-13.97,;25.17,-14.29,;24.69,-15.75,;29.21,-14.81,;30.24,-15.95,;29.69,-13.33,;22.29,-18.93,;20.84,-18.45,;22.61,-20.43,;21.2,-20.01,;17.92,-16.37,;16.94,-17.54,;18.94,-17.52,;16.61,-15.59,;16.6,-14.04,;17.96,-13.26,;18.94,-12.09,;16.93,-12.11,)| Show InChI InChI=1S/C24H25F3N2O2/c1-13-10-15-16(23(4,5)9-8-22(15,2)3)12-19(13)29-18-7-6-14(20(30)31)11-17(18)28-21(29)24(25,26)27/h6-7,10-12H,8-9H2,1-5H3,(H,30,31)	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	n/a	n/a	15	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Partial agonist activity at RXRalpha (unknown origin) expressed in COS1 cells after 18 hrs by luciferase reporter gene assay				J Med Chem 56: 1865-77 (2013) Article DOI: 10.1021/jm400033f BindingDB Entry DOI: 10.7270/Q2348MR8
					More data for this Ligand-Target Pair