Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50039121   

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
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50314948 ((S)-8-Acetyl-6,9-dihydroxy-3-methoxy-6b-methyl-1,7...) Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1cccc2ccccc12 |r,t:9| Show InChI InChI=1S/C28H23NO7/c1-14(30)22-18(31)12-21-28(2,26(22)33)24-19(32)11-20(35-3)23(25(24)36-21)27(34)29-13-16-9-6-8-15-7-4-5-10-17(15)16/h4-12,22,32H,13H2,1-3H3,(H,29,34)/t22?,28-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to PPARgamma				Bioorg Med Chem Lett 20: 2095-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.073 BindingDB Entry DOI: 10.7270/Q2RX9D21
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50314948 ((S)-8-Acetyl-6,9-dihydroxy-3-methoxy-6b-methyl-1,7...) Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1cccc2ccccc12 |r,t:9| Show InChI InChI=1S/C28H23NO7/c1-14(30)22-18(31)12-21-28(2,26(22)33)24-19(32)11-20(35-3)23(25(24)36-21)27(34)29-13-16-9-6-8-15-7-4-5-10-17(15)16/h4-12,22,32H,13H2,1-3H3,(H,29,34)/t22?,28-/m1/s1	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	620	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of PPARgamma assessed as transcriptional activity				Bioorg Med Chem Lett 20: 2095-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.073 BindingDB Entry DOI: 10.7270/Q2RX9D21
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50314950 ((S)-8-Acetyl-6,9-dihydroxy-3-methoxy-6b-methyl-1,7...) Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1ccco1 |r,t:9| Show InChI InChI=1S/C22H19NO8/c1-10(24)16-12(25)8-15-22(2,20(16)27)18-13(26)7-14(29-3)17(19(18)31-15)21(28)23-9-11-5-4-6-30-11/h4-8,16,26H,9H2,1-3H3,(H,23,28)/t16?,22-/m1/s1	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	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of PPARgamma assessed as transcriptional activity				Bioorg Med Chem Lett 20: 2095-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.073 BindingDB Entry DOI: 10.7270/Q2RX9D21
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50314953 ((S)-8-Acetyl-6,9-dihydroxy-3-methoxy-6b-methyl-1,7...) Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1ccccc1[N+]([O-])=O |r,t:9| Show InChI InChI=1S/C24H20N2O9/c1-11(27)18-14(28)9-17-24(2,22(18)30)20-15(29)8-16(34-3)19(21(20)35-17)23(31)25-10-12-6-4-5-7-13(12)26(32)33/h4-9,18,29H,10H2,1-3H3,(H,25,31)/t18?,24-/m1/s1	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	1.60E+3	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at PPARgamma assessed as transcriptional activation				Bioorg Med Chem Lett 20: 2095-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.073 BindingDB Entry DOI: 10.7270/Q2RX9D21
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50314954 ((S)-8-Acetyl-6,9-dihydroxy-3-methoxy-6b-methyl-1,7...) Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1cccc(c1)[N+]([O-])=O |r,t:9| Show InChI InChI=1S/C24H20N2O9/c1-11(27)18-14(28)9-17-24(2,22(18)30)20-15(29)8-16(34-3)19(21(20)35-17)23(31)25-10-12-5-4-6-13(7-12)26(32)33/h4-9,18,29H,10H2,1-3H3,(H,25,31)/t18?,24-/m1/s1	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	2.40E+3	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at PPARgamma assessed as transcriptional activation				Bioorg Med Chem Lett 20: 2095-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.073 BindingDB Entry DOI: 10.7270/Q2RX9D21
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50314955 ((S)-8-Acetyl-6,9-dihydroxy-3-methoxy-6b-methyl-1,7...) Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1ccc(cc1)[N+]([O-])=O |r,t:9| Show InChI InChI=1S/C24H20N2O9/c1-11(27)18-14(28)9-17-24(2,22(18)30)20-15(29)8-16(34-3)19(21(20)35-17)23(31)25-10-12-4-6-13(7-5-12)26(32)33/h4-9,18,29H,10H2,1-3H3,(H,25,31)/t18?,24-/m1/s1	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	6.00E+3	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at PPARgamma assessed as transcriptional activation				Bioorg Med Chem Lett 20: 2095-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.073 BindingDB Entry DOI: 10.7270/Q2RX9D21
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50314956 ((S)-8-Acetyl-6,9-dihydroxy-3-methoxy-6b-methyl-1,7...) Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1ccccc1Cl |r,t:9| Show InChI InChI=1S/C24H20ClNO7/c1-11(27)18-14(28)9-17-24(2,22(18)30)20-15(29)8-16(32-3)19(21(20)33-17)23(31)26-10-12-6-4-5-7-13(12)25/h4-9,18,29H,10H2,1-3H3,(H,26,31)/t18?,24-/m1/s1	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	280	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at PPARgamma assessed as transcriptional activation				Bioorg Med Chem Lett 20: 2095-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.073 BindingDB Entry DOI: 10.7270/Q2RX9D21
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50314957 ((S)-8-Acetyl-6,9-dihydroxy-3-methoxy-6b-methyl-1,7...) Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1cccc(Cl)c1 |r,t:9| Show InChI InChI=1S/C24H20ClNO7/c1-11(27)18-14(28)9-17-24(2,22(18)30)20-15(29)8-16(32-3)19(21(20)33-17)23(31)26-10-12-5-4-6-13(25)7-12/h4-9,18,29H,10H2,1-3H3,(H,26,31)/t18?,24-/m1/s1	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	6.70E+3	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at PPARgamma assessed as transcriptional activation				Bioorg Med Chem Lett 20: 2095-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.073 BindingDB Entry DOI: 10.7270/Q2RX9D21
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50314958 ((S)-8-Acetyl-6,9-dihydroxy-3-methoxy-6b-methyl-1,7...) Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1ccc(Cl)cc1 |r,t:9| Show InChI InChI=1S/C24H20ClNO7/c1-11(27)18-14(28)9-17-24(2,22(18)30)20-15(29)8-16(32-3)19(21(20)33-17)23(31)26-10-12-4-6-13(25)7-5-12/h4-9,18,29H,10H2,1-3H3,(H,26,31)/t18?,24-/m1/s1	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	770	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at PPARgamma assessed as transcriptional activation				Bioorg Med Chem Lett 20: 2095-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.073 BindingDB Entry DOI: 10.7270/Q2RX9D21
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50314959 ((S)-8-Acetyl-6,9-dihydroxy-3-methoxy-6b-methyl-1,7...) Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1cccnc1 |r,t:9| Show InChI InChI=1S/C23H20N2O7/c1-11(26)17-13(27)8-16-23(2,21(17)29)19-14(28)7-15(31-3)18(20(19)32-16)22(30)25-10-12-5-4-6-24-9-12/h4-9,17,28H,10H2,1-3H3,(H,25,30)/t17?,23-/m1/s1	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	1.10E+4	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at PPARgamma assessed as transcriptional activation				Bioorg Med Chem Lett 20: 2095-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.073 BindingDB Entry DOI: 10.7270/Q2RX9D21
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50314950 ((S)-8-Acetyl-6,9-dihydroxy-3-methoxy-6b-methyl-1,7...) Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1ccco1 |r,t:9| Show InChI InChI=1S/C22H19NO8/c1-10(24)16-12(25)8-15-22(2,20(16)27)18-13(26)7-14(29-3)17(19(18)31-15)21(28)23-9-11-5-4-6-30-11/h4-8,16,26H,9H2,1-3H3,(H,23,28)/t16?,22-/m1/s1	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	560	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at PPARgamma assessed as transcriptional activation				Bioorg Med Chem Lett 20: 2095-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.073 BindingDB Entry DOI: 10.7270/Q2RX9D21
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50314960 ((S)-8-Acetyl-6,9-dihydroxy-3-methoxy-6b-methyl-1,7...) Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1ccoc1 |r,t:9| Show InChI InChI=1S/C22H19NO8/c1-10(24)16-12(25)7-15-22(2,20(16)27)18-13(26)6-14(29-3)17(19(18)31-15)21(28)23-8-11-4-5-30-9-11/h4-7,9,16,26H,8H2,1-3H3,(H,23,28)/t16?,22-/m1/s1	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	3.20E+3	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at PPARgamma assessed as transcriptional activation				Bioorg Med Chem Lett 20: 2095-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.073 BindingDB Entry DOI: 10.7270/Q2RX9D21
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50314961 ((S)-8-Acetyl-6,9-dihydroxy-3-methoxy-6b-methyl-1,7...) Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1cccs1 |r,t:9| Show InChI InChI=1S/C22H19NO7S/c1-10(24)16-12(25)8-15-22(2,20(16)27)18-13(26)7-14(29-3)17(19(18)30-15)21(28)23-9-11-5-4-6-31-11/h4-8,16,26H,9H2,1-3H3,(H,23,28)/t16?,22-/m1/s1	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	1.20E+3	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at PPARgamma assessed as transcriptional activation				Bioorg Med Chem Lett 20: 2095-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.073 BindingDB Entry DOI: 10.7270/Q2RX9D21
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50314962 ((S)-8-Acetyl-6,9-dihydroxy-3-methoxy-6b-methyl-1,7...) Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1ccsc1 |r,t:9| Show InChI InChI=1S/C22H19NO7S/c1-10(24)16-12(25)7-15-22(2,20(16)27)18-13(26)6-14(29-3)17(19(18)30-15)21(28)23-8-11-4-5-31-9-11/h4-7,9,16,26H,8H2,1-3H3,(H,23,28)/t16?,22-/m1/s1	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	4.40E+3	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at PPARgamma assessed as transcriptional activation				Bioorg Med Chem Lett 20: 2095-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.073 BindingDB Entry DOI: 10.7270/Q2RX9D21
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50314963 ((S)-8-Acetyl-6,9-dihydroxy-3-methoxy-6b-methyl-1,7...) Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1cc2ccccc2o1 |r,t:9| Show InChI InChI=1S/C26H21NO8/c1-12(28)20-15(29)10-19-26(2,24(20)31)22-16(30)9-18(33-3)21(23(22)35-19)25(32)27-11-14-8-13-6-4-5-7-17(13)34-14/h4-10,20,30H,11H2,1-3H3,(H,27,32)/t20?,26-/m1/s1	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	2.30E+3	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at PPARgamma assessed as transcriptional activation				Bioorg Med Chem Lett 20: 2095-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.073 BindingDB Entry DOI: 10.7270/Q2RX9D21
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50314964 ((S)-8-Acetyl-6,9-dihydroxy-3-methoxy-6b-methyl-1,7...) Show SMILES COC1Oc2cc(O)c3c(OC4=CC(=O)C(C(C)=O)C(=O)[C@@]34C)c2C(=O)N1C(=O)NCc1cc2ccccc2s1 |r,t:11| Show InChI InChI=1S/C28H22N2O9S/c1-12(31)20-15(32)10-19-28(2,24(20)34)22-16(33)9-17-21(23(22)39-19)25(35)30(27(37-3)38-17)26(36)29-11-14-8-13-6-4-5-7-18(13)40-14/h4-10,20,27,33H,11H2,1-3H3,(H,29,36)/t20?,27?,28-/m1/s1	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	3.80E+3	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at PPARgamma assessed as transcriptional activation				Bioorg Med Chem Lett 20: 2095-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.073 BindingDB Entry DOI: 10.7270/Q2RX9D21
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50314948 ((S)-8-Acetyl-6,9-dihydroxy-3-methoxy-6b-methyl-1,7...) Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1cccc2ccccc12 |r,t:9| Show InChI InChI=1S/C28H23NO7/c1-14(30)22-18(31)12-21-28(2,26(22)33)24-19(32)11-20(35-3)23(25(24)36-21)27(34)29-13-16-9-6-8-15-7-4-5-10-17(15)16/h4-12,22,32H,13H2,1-3H3,(H,29,34)/t22?,28-/m1/s1	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	180	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at PPARgamma assessed as transcriptional activation				Bioorg Med Chem Lett 20: 2095-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.073 BindingDB Entry DOI: 10.7270/Q2RX9D21
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50049240 ((+-)-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)m...) Show SMILES CCc1ccc(CCOc2ccc(Cc3sc(=O)[nH]c3O)cc2)nc1 Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,22H,2,9-11H2,1H3,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	88	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at PPARgamma assessed as transcriptional activation				Bioorg Med Chem Lett 20: 2095-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.073 BindingDB Entry DOI: 10.7270/Q2RX9D21
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50314952 ((S)-8-Acetyl-6,9-dihydroxy-3-methoxy-6b-methyl-1,7...) Show SMILES COc1ccc(CNC(=O)c2c3OC4=CC(=O)C(C(C)=O)C(=O)[C@@]4(C)c3c(O)cc2OC)cc1 |r,t:13| Show InChI InChI=1S/C25H23NO8/c1-12(27)19-15(28)10-18-25(2,23(19)30)21-16(29)9-17(33-4)20(22(21)34-18)24(31)26-11-13-5-7-14(32-3)8-6-13/h5-10,19,29H,11H2,1-4H3,(H,26,31)/t19?,25-/m1/s1	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	1.70E+3	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at PPARgamma assessed as transcriptional activation				Bioorg Med Chem Lett 20: 2095-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.073 BindingDB Entry DOI: 10.7270/Q2RX9D21
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50314951 ((S)-8-Acetyl-6,9-dihydroxy-3-methoxy-6b-methyl-1,7...) Show SMILES COc1cccc(CNC(=O)c2c3OC4=CC(=O)C(C(C)=O)C(=O)[C@@]4(C)c3c(O)cc2OC)c1 |r,t:14| Show InChI InChI=1S/C25H23NO8/c1-12(27)19-15(28)10-18-25(2,23(19)30)21-16(29)9-17(33-4)20(22(21)34-18)24(31)26-11-13-6-5-7-14(8-13)32-3/h5-10,19,29H,11H2,1-4H3,(H,26,31)/t19?,25-/m1/s1	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	3.80E+3	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at PPARgamma assessed as transcriptional activation				Bioorg Med Chem Lett 20: 2095-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.073 BindingDB Entry DOI: 10.7270/Q2RX9D21
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28681 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...) Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at PPARgamma assessed as transcriptional activation				Bioorg Med Chem Lett 20: 2095-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.073 BindingDB Entry DOI: 10.7270/Q2RX9D21
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50314949 ((S)-8-acetyl-N-benzyl-1,7-dihydroxy-3-methoxy-9a-m...) Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1ccccc1 |r,t:9| Show InChI InChI=1S/C24H21NO7/c1-12(26)18-14(27)10-17-24(2,22(18)29)20-15(28)9-16(31-3)19(21(20)32-17)23(30)25-11-13-7-5-4-6-8-13/h4-10,18,28H,11H2,1-3H3,(H,25,30)/t18?,24-/m1/s1	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	220	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at PPARgamma assessed as transcriptional activation				Bioorg Med Chem Lett 20: 2095-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.073 BindingDB Entry DOI: 10.7270/Q2RX9D21
					More data for this Ligand-Target Pair