Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'kawahata' and Initial = 'm'   

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
Histone deacetylase (Homo sapiens (Human))	BDBM50476882 (CHEMBL428721) Show SMILES NC1=NC(=O)C2N=C(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)NCCSSCCCCCCC(=O)Nc3ncc(s3)-c3ccccc3)C(O)=O)C=NC2=N1 |c:55,58,t:1,6| Show InChI InChI=1S/C37H42N10O6S3/c38-36-46-32-31(34(51)47-36)43-26(21-41-32)20-40-25-13-11-24(12-14-25)33(50)44-27(35(52)53)15-16-29(48)39-17-19-55-54-18-7-2-1-6-10-30(49)45-37-42-22-28(56-37)23-8-4-3-5-9-23/h3-5,8-9,11-14,21-22,27,31,40H,1-2,6-7,10,15-20H2,(H,39,48)(H,44,50)(H,52,53)(H2,38,47,51)(H,42,45,49)/t27-,31?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of HDAC in HeLa cells in presence of DTT after 30 mins by fluorescent activity assay				Bioorg Med Chem Lett 17: 4208-12 (2007) Article DOI: 10.1016/j.bmcl.2007.05.040 BindingDB Entry DOI: 10.7270/Q2GH9MRV
					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
Histone deacetylase (Homo sapiens (Human))	BDBM50476883 (CHEMBL235880) Show SMILES NC1=NC(=O)C2N=C(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)NCCOCCOCCSSCCCCCCC(=O)Nc3ncc(s3)-c3ccccc3)C(O)=O)C=NC2=N1 |c:61,64,t:1,6| Show InChI InChI=1S/C41H50N10O8S3/c42-40-50-36-35(38(55)51-40)47-30(25-45-36)24-44-29-13-11-28(12-14-29)37(54)48-31(39(56)57)15-16-33(52)43-17-18-58-19-20-59-21-23-61-60-22-7-2-1-6-10-34(53)49-41-46-26-32(62-41)27-8-4-3-5-9-27/h3-5,8-9,11-14,25-26,31,35,44H,1-2,6-7,10,15-24H2,(H,43,52)(H,48,54)(H,56,57)(H2,42,51,55)(H,46,49,53)/t31-,35?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of HDAC in HeLa cells in presence of DTT after 30 mins by fluorescent activity assay				Bioorg Med Chem Lett 17: 4208-12 (2007) Article DOI: 10.1016/j.bmcl.2007.05.040 BindingDB Entry DOI: 10.7270/Q2GH9MRV
					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
Histone deacetylase (Homo sapiens (Human))	BDBM50476884 (CHEMBL236723) Show SMILES NC1=NC(=O)C2N=C(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)NCCCCCCSSCCCCCCNC(=O)CC[C@H](NC(=O)c3ccc(NCC4=NC5C(=O)N=C(N)N=C5N=C4)cc3)C(O)=O)C(O)=O)C=NC2=N1 |c:63,66,78,81,t:1,6,55,60| Show InChI InChI=1S/C50H62N16O10S2/c51-49-63-41-39(45(71)65-49)59-33(27-57-41)25-55-31-13-9-29(10-14-31)43(69)61-35(47(73)74)17-19-37(67)53-21-5-1-3-7-23-77-78-24-8-4-2-6-22-54-38(68)20-18-36(48(75)76)62-44(70)30-11-15-32(16-12-30)56-26-34-28-58-42-40(60-34)46(72)66-50(52)64-42/h9-16,27-28,35-36,39-40,55-56H,1-8,17-26H2,(H,53,67)(H,54,68)(H,61,69)(H,62,70)(H,73,74)(H,75,76)(H2,51,65,71)(H2,52,66,72)/t35-,36-,39?,40?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of HDAC in HeLa cells in presence of DTT after 30 mins by fluorescent activity assay				Bioorg Med Chem Lett 17: 4208-12 (2007) Article DOI: 10.1016/j.bmcl.2007.05.040 BindingDB Entry DOI: 10.7270/Q2GH9MRV
					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-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-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-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))	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-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-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))	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
Histone deacetylase (Homo sapiens (Human))	BDBM50476881 (CHEMBL438153) Show SMILES NC1=NC(=O)C2N=C(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)NCCCCCCS)C(O)=O)C=NC2=N1 |c:36,39,t:1,6| Show InChI InChI=1S/C25H32N8O5S/c26-25-32-21-20(23(36)33-25)30-17(14-29-21)13-28-16-7-5-15(6-8-16)22(35)31-18(24(37)38)9-10-19(34)27-11-3-1-2-4-12-39/h5-8,14,18,20,28,39H,1-4,9-13H2,(H,27,34)(H,31,35)(H,37,38)(H2,26,33,36)/t18-,20?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of HDAC in HeLa cells after 30 mins by fluorescent activity assay				Bioorg Med Chem Lett 17: 4208-12 (2007) Article DOI: 10.1016/j.bmcl.2007.05.040 BindingDB Entry DOI: 10.7270/Q2GH9MRV
					More data for this Ligand-Target Pair