Compile Data Set for Download or QSAR

Found 117 hits Enz. Inhib. hit(s) with all data for entry = 50039377   

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
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336739 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COC(=O)c1ccc(Oc2ccc(C=C3SC(O)=NC3=O)cc2OC)c2ccccc12 |w:13.12,c:17| Show InChI InChI=1S/C23H17NO6S/c1-28-19-11-13(12-20-21(25)24-23(27)31-20)7-9-18(19)30-17-10-8-16(22(26)29-2)14-5-3-4-6-15(14)17/h3-12H,1-2H3,(H,24,25,27)	PDB MMDB 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	13	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336759 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COC(=O)c1ccc(Oc2ccc(C=C3SC(O)=NC3=O)cc2OC)c(c1)C(F)(F)F |w:13.12,c:17| Show InChI InChI=1S/C20H14F3NO6S/c1-28-15-7-10(8-16-17(25)24-19(27)31-16)3-5-14(15)30-13-6-4-11(18(26)29-2)9-12(13)20(21,22)23/h3-9H,1-2H3,(H,24,25,27)	PDB MMDB 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	16	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336760 (5-[4-(2,4-Bis-trifluoromethylphenoxy)-3-methoxyben...) Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1C(F)(F)F)C(F)(F)F |w:5.4,c:9| Show InChI InChI=1S/C19H11F6NO4S/c1-29-14-6-9(7-15-16(27)26-17(28)31-15)2-4-13(14)30-12-5-3-10(18(20,21)22)8-11(12)19(23,24)25/h2-8H,1H3,(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336730 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1C(F)(F)F)C#N |w:5.4,c:9| Show InChI InChI=1S/C19H11F3N2O4S/c1-27-15-7-10(8-16-17(25)24-18(26)29-16)2-5-14(15)28-13-4-3-11(9-23)6-12(13)19(20,21)22/h2-8H,1H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336753 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COC(=O)c1ccc(Oc2ccc(C=C3SC(O)=NC3=O)cc2OC)c(Cl)c1 |w:13.12,c:17| Show InChI InChI=1S/C19H14ClNO6S/c1-25-15-7-10(8-16-17(22)21-19(24)28-16)3-5-14(15)27-13-6-4-11(9-12(13)20)18(23)26-2/h3-9H,1-2H3,(H,21,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Agonist activity at 6his-tagged ERRalpha LBD assessed as recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336731 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COC(=O)c1ccc(Oc2ccc(C=C3SC(O)=NC3=O)cc2OC)cc1C(F)(F)F |w:13.12,c:17| Show InChI InChI=1S/C20H14F3NO6S/c1-28-15-7-10(8-16-17(25)24-19(27)31-16)3-6-14(15)30-11-4-5-12(18(26)29-2)13(9-11)20(21,22)23/h3-9H,1-2H3,(H,24,25,27)	PDB MMDB 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	57	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336738 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(C#N)c2ccccc12 |w:5.4,c:9| Show InChI InChI=1S/C22H14N2O4S/c1-27-19-10-13(11-20-21(25)24-22(26)29-20)6-8-18(19)28-17-9-7-14(12-23)15-4-2-3-5-16(15)17/h2-11H,1H3,(H,24,25,26)	PDB MMDB 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	62	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336761 (5-[4-(2-Trifluoromethylphenoxy)-3-methoxybenzylide...) Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccccc1C(F)(F)F |w:5.4,c:9| Show InChI InChI=1S/C18H12F3NO4S/c1-25-14-8-10(9-15-16(23)22-17(24)27-15)6-7-13(14)26-12-5-3-2-4-11(12)18(19,20)21/h2-9H,1H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336762 (2-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COC(=O)c1cc(ccc1Oc1ccc(C=C2SC(O)=NC2=O)cc1OC)C(F)(F)F |w:15.15,c:20| Show InChI InChI=1S/C20H14F3NO6S/c1-28-15-7-10(8-16-17(25)24-19(27)31-16)3-5-14(15)30-13-6-4-11(20(21,22)23)9-12(13)18(26)29-2/h3-9H,1-2H3,(H,24,25,27)	PDB MMDB 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	70	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336756 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COC(=O)c1ccc(Oc2ccc(C=C3SC(O)=NC3=O)cc2OC)c(Br)c1 |w:13.12,c:17| Show InChI InChI=1S/C19H14BrNO6S/c1-25-15-7-10(8-16-17(22)21-19(24)28-16)3-5-14(15)27-13-6-4-11(9-12(13)20)18(23)26-2/h3-9H,1-2H3,(H,21,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336739 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COC(=O)c1ccc(Oc2ccc(C=C3SC(O)=NC3=O)cc2OC)c2ccccc12 |w:13.12,c:17| Show InChI InChI=1S/C23H17NO6S/c1-28-19-11-13(12-20-21(25)24-23(27)31-20)7-9-18(19)30-17-10-8-16(22(26)29-2)14-5-3-4-6-15(14)17/h3-12H,1-2H3,(H,24,25,27)	PDB MMDB 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	90	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at ERRalpha LBD expressed in HEK293 cells assessed as Gal4-SRC2 interaction by two hybrid luciferase reporter gene assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336757 (5-[4-(2-Bromo-4-trifluoromethylphenoxy)-3-methoxyb...) Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1Br)C(F)(F)F |w:5.4,c:9| Show InChI InChI=1S/C18H11BrF3NO4S/c1-26-14-6-9(7-15-16(24)23-17(25)28-15)2-4-13(14)27-12-5-3-10(8-11(12)19)18(20,21)22/h2-8H,1H3,(H,23,24,25)	PDB MMDB 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	140	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336754 (5-[4-(2-Chloro-4-trifluoromethylphenoxy)-3-methoxy...) Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1Cl)C(F)(F)F |w:5.4,c:9| Show InChI InChI=1S/C18H11ClF3NO4S/c1-26-14-6-9(7-15-16(24)23-17(25)28-15)2-4-13(14)27-12-5-3-10(8-11(12)19)18(20,21)22/h2-8H,1H3,(H,23,24,25)	PDB MMDB 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	165	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Agonist activity at 6his-tagged ERRalpha LBD assessed as recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM22420 ((cyclohexylmethyl)({[1-(4-methylphenyl)-1H-indol-3...) Show SMILES Cc1ccc(cc1)-n1cc(CNCC2CCCCC2)c2ccccc12 Show InChI InChI=1S/C23H28N2/c1-18-11-13-21(14-12-18)25-17-20(22-9-5-6-10-23(22)25)16-24-15-19-7-3-2-4-8-19/h5-6,9-14,17,19,24H,2-4,7-8,15-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Agonist activity at 6his-tagged ERRalpha LBD assessed as recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336735 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(C#N)c(c1)C#N |w:5.4,c:9| Show InChI InChI=1S/C19H11N3O4S/c1-25-16-6-11(7-17-18(23)22-19(24)27-17)2-5-15(16)26-14-4-3-12(9-20)13(8-14)10-21/h2-8H,1H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336752 (2-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1C#N)C(F)(F)F |w:5.4,c:9| Show InChI InChI=1S/C19H11F3N2O4S/c1-27-15-6-10(7-16-17(25)24-18(26)29-16)2-4-14(15)28-13-5-3-12(19(20,21)22)8-11(13)9-23/h2-8H,1H3,(H,24,25,26)	PDB MMDB 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	240	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Agonist activity at 6his-tagged ERRalpha LBD assessed as recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336747 (5-[3-Methoxy-4-(2-nitro-4-trifluoromethylphenoxy)b...) Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1[N+]([O-])=O)C(F)(F)F |w:5.4,c:9| Show InChI InChI=1S/C18H11F3N2O6S/c1-28-14-6-9(7-15-16(24)22-17(25)30-15)2-4-13(14)29-12-5-3-10(18(19,20)21)8-11(12)23(26)27/h2-8H,1H3,(H,22,24,25)	PDB MMDB 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	270	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336751 (5-[3-Methoxy-4-(4-nitro-3-trifluoromethylphenoxy)b...) Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |w:5.4,c:9| Show InChI InChI=1S/C18H11F3N2O6S/c1-28-14-6-9(7-15-16(24)22-17(25)30-15)2-5-13(14)29-10-3-4-12(23(26)27)11(8-10)18(19,20)21/h2-8H,1H3,(H,22,24,25)	PDB MMDB 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	280	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Agonist activity at 6his-tagged ERRalpha LBD assessed as recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336748 (5-[3-Methoxy-4-(2-nitrophenoxy)benzylidene]thiazol...) Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccccc1[N+]([O-])=O |w:5.4,c:9| Show InChI InChI=1S/C17H12N2O6S/c1-24-14-8-10(9-15-16(20)18-17(21)26-15)6-7-13(14)25-12-5-3-2-4-11(12)19(22)23/h2-9H,1H3,(H,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Agonist activity at 6his-tagged ERRalpha LBD assessed as recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336743 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-etho...) Show SMILES CCOc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(C#N)c(c1)C(F)(F)F |w:6.5,c:10| Show InChI InChI=1S/C20H13F3N2O4S/c1-2-28-16-7-11(8-17-18(26)25-19(27)30-17)3-6-15(16)29-13-5-4-12(10-24)14(9-13)20(21,22)23/h3-9H,2H2,1H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Agonist activity at 6his-tagged ERRalpha LBD assessed as recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50155833 (3-[4-(2,4-Bis-trifluoromethyl-benzyloxy)-3-methoxy...) Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2nnc(s2)C(F)(F)F)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H13F9N4O3S/c1-38-17-7-11(6-13(9-33)18(37)34-20-36-35-19(40-20)23(30,31)32)2-5-16(17)39-10-12-3-4-14(21(24,25)26)8-15(12)22(27,28)29/h2-8H,10H2,1H3,(H,34,36,37)/b13-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at ERRalpha LBD expressed in HEK293 cells assessed as Gal4-SRC2 interaction by two hybrid luciferase reporter gene assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336749 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COC(=O)c1ccc(Oc2ccc(C=C3SC(O)=NC3=O)cc2OC)c(c1)[N+]([O-])=O |w:13.12,c:17| Show InChI InChI=1S/C19H14N2O8S/c1-27-15-7-10(8-16-17(22)20-19(24)30-16)3-5-14(15)29-13-6-4-11(18(23)28-2)9-12(13)21(25)26/h3-9H,1-2H3,(H,20,22,24)	PDB MMDB 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	470	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Agonist activity at 6his-tagged ERRalpha LBD assessed as recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336732 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(C#N)c(c1)C(F)(F)F |w:5.4,c:9| Show InChI InChI=1S/C19H11F3N2O4S/c1-27-15-6-10(7-16-17(25)24-18(26)29-16)2-5-14(15)28-12-4-3-11(9-23)13(8-12)19(20,21)22/h2-8H,1H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336766 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1C#N)C#N |w:5.4,c:9| Show InChI InChI=1S/C19H11N3O4S/c1-25-16-7-11(8-17-18(23)22-19(24)27-17)2-5-15(16)26-14-4-3-12(9-20)6-13(14)10-21/h2-8H,1H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Agonist activity at 6his-tagged ERRalpha LBD assessed as recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336755 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1Cl)C#N |w:5.4,c:9| Show InChI InChI=1S/C18H11ClN2O4S/c1-24-15-7-10(8-16-17(22)21-18(23)26-16)2-5-14(15)25-13-4-3-11(9-20)6-12(13)19/h2-8H,1H3,(H,21,22,23)	PDB MMDB 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	540	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50336730 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1C(F)(F)F)C#N |w:5.4,c:9| Show InChI InChI=1S/C19H11F3N2O4S/c1-27-15-7-10(8-16-17(25)24-18(26)29-16)2-5-14(15)28-13-4-3-11(9-23)6-12(13)19(20,21)22/h2-8H,1H3,(H,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity to ERbeta by fluorescence polarization assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336730 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1C(F)(F)F)C#N |w:5.4,c:9| Show InChI InChI=1S/C19H11F3N2O4S/c1-27-15-7-10(8-16-17(25)24-18(26)29-16)2-5-14(15)28-13-4-3-11(9-23)6-12(13)19(20,21)22/h2-8H,1H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human ERRalpha LBD by cell based luciferase reporter gene assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336730 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1C(F)(F)F)C#N |w:5.4,c:9| Show InChI InChI=1S/C19H11F3N2O4S/c1-27-15-7-10(8-16-17(25)24-18(26)29-16)2-5-14(15)28-13-4-3-11(9-23)6-12(13)19(20,21)22/h2-8H,1H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at ERRalpha LBD expressed in HEK293 cells assessed as Gal4-SRC2 interaction by two hybrid luciferase reporter gene assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336734 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1C)C#N |w:5.4,c:9| Show InChI InChI=1S/C19H14N2O4S/c1-11-7-13(10-20)4-5-14(11)25-15-6-3-12(8-16(15)24-2)9-17-18(22)21-19(23)26-17/h3-9H,1-2H3,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Agonist activity at 6his-tagged ERRalpha LBD assessed as recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336761 (5-[4-(2-Trifluoromethylphenoxy)-3-methoxybenzylide...) Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccccc1C(F)(F)F |w:5.4,c:9| Show InChI InChI=1S/C18H12F3NO4S/c1-25-14-8-10(9-15-16(23)22-17(24)27-15)6-7-13(14)26-12-5-3-2-4-11(12)18(19,20)21/h2-9H,1H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at ERRalpha LBD expressed in HEK293 cells assessed as Gal4-SRC2 interaction by two hybrid luciferase reporter gene assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336741 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)phenoxy...) Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(Oc2ccc(C#N)c(c2)C(F)(F)F)cc1 |w:7.8,t:1| Show InChI InChI=1S/C18H9F3N2O3S/c19-18(20,21)14-8-13(6-3-11(14)9-22)26-12-4-1-10(2-5-12)7-15-16(24)23-17(25)27-15/h1-8H,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Agonist activity at 6his-tagged ERRalpha LBD assessed as recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336758 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1Br)C#N |w:5.4,c:9| Show InChI InChI=1S/C18H11BrN2O4S/c1-24-15-7-10(8-16-17(22)21-18(23)26-16)2-5-14(15)25-13-4-3-11(9-20)6-12(13)19/h2-8H,1H3,(H,21,22,23)	PDB MMDB 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	720	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336744 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-3-meth...) Show SMILES COc1cc(Oc2ccc(C#N)c(c2)C(F)(F)F)ccc1C=C1SC(O)=NC1=O |w:21.22,c:27| Show InChI InChI=1S/C19H11F3N2O4S/c1-27-15-8-13(4-2-10(15)6-16-17(25)24-18(26)29-16)28-12-5-3-11(9-23)14(7-12)19(20,21)22/h2-8H,1H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Agonist activity at 6his-tagged ERRalpha LBD assessed as recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336742 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES Cc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(C#N)c(c1)C(F)(F)F |w:4.3,c:8| Show InChI InChI=1S/C19H11F3N2O3S/c1-10-6-11(7-16-17(25)24-18(26)28-16)2-5-15(10)27-13-4-3-12(9-23)14(8-13)19(20,21)22/h2-8H,1H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Agonist activity at 6his-tagged ERRalpha LBD assessed as recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50336739 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COC(=O)c1ccc(Oc2ccc(C=C3SC(O)=NC3=O)cc2OC)c2ccccc12 |w:13.12,c:17| Show InChI InChI=1S/C23H17NO6S/c1-28-19-11-13(12-20-21(25)24-23(27)31-20)7-9-18(19)30-17-10-8-16(22(26)29-2)14-5-3-4-6-15(14)17/h3-12H,1-2H3,(H,24,25,27)	PDB MMDB 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	800	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336733 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(C#N)c(C)c1 |w:5.4,c:9| Show InChI InChI=1S/C19H14N2O4S/c1-11-7-14(5-4-13(11)10-20)25-15-6-3-12(8-16(15)24-2)9-17-18(22)21-19(23)26-17/h3-9H,1-2H3,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336737 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1)C#N |w:5.4,c:9| Show InChI InChI=1S/C18H12N2O4S/c1-23-15-8-12(9-16-17(21)20-18(22)25-16)4-7-14(15)24-13-5-2-11(10-19)3-6-13/h2-9H,1H3,(H,20,21,22)	PDB MMDB 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
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Agonist activity at 6his-tagged ERRalpha LBD assessed as recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336764 (2-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1C#N)[N+]([O-])=O |w:5.4,c:9| Show InChI InChI=1S/C18H11N3O6S/c1-26-15-6-10(7-16-17(22)20-18(23)28-16)2-4-14(15)27-13-5-3-12(21(24)25)8-11(13)9-19/h2-8H,1H3,(H,20,22,23)	PDB MMDB 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
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Agonist activity at 6his-tagged ERRalpha LBD assessed as recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336750 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1[N+]([O-])=O)C#N |w:5.4,c:9| Show InChI InChI=1S/C18H11N3O6S/c1-26-15-7-10(8-16-17(22)20-18(23)28-16)2-5-14(15)27-13-4-3-11(9-19)6-12(13)21(24)25/h2-8H,1H3,(H,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Agonist activity at 6his-tagged ERRalpha LBD assessed as recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336740 (4-[4-(2,4-Dioxothiazolidin-5-ylmethyl)-2-methoxyph...) Show SMILES COC(=O)c1ccc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2OC)cc1C(F)(F)F Show InChI InChI=1S/C20H16F3NO6S/c1-28-15-7-10(8-16-17(25)24-19(27)31-16)3-6-14(15)30-11-4-5-12(18(26)29-2)13(9-11)20(21,22)23/h3-7,9,25H,8H2,1-2H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Agonist activity at 6his-tagged ERRalpha LBD assessed as recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336736 (2-Chloro-4-[4-(2,4-dioxothiazolidin-5-ylidenemethy...) Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(C#N)c(Cl)c1 |w:5.4,c:9| Show InChI InChI=1S/C18H11ClN2O4S/c1-24-15-6-10(7-16-17(22)21-18(23)26-16)2-5-14(15)25-12-4-3-11(9-20)13(19)8-12/h2-8H,1H3,(H,21,22,23)	PDB MMDB 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+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Agonist activity at 6his-tagged ERRalpha LBD assessed as recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336759 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COC(=O)c1ccc(Oc2ccc(C=C3SC(O)=NC3=O)cc2OC)c(c1)C(F)(F)F |w:13.12,c:17| Show InChI InChI=1S/C20H14F3NO6S/c1-28-15-7-10(8-16-17(25)24-19(27)31-16)3-5-14(15)30-13-6-4-11(18(26)29-2)9-12(13)20(21,22)23/h3-9H,1-2H3,(H,24,25,27)	PDB MMDB 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	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at ERRalpha LBD expressed in HEK293 cells assessed as Gal4-SRC2 interaction by two hybrid luciferase reporter gene assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336745 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2,6-di...) Show SMILES COc1cc(C=C2SC(O)=NC2=O)cc(OC)c1Oc1ccc(C#N)c(c1)C(F)(F)F |w:5.4,c:9| Show InChI InChI=1S/C20H13F3N2O5S/c1-28-14-5-10(7-16-18(26)25-19(27)31-16)6-15(29-2)17(14)30-12-4-3-11(9-24)13(8-12)20(21,22)23/h3-8H,1-2H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Agonist activity at 6his-tagged ERRalpha LBD assessed as recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50336761 (5-[4-(2-Trifluoromethylphenoxy)-3-methoxybenzylide...) Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccccc1C(F)(F)F |w:5.4,c:9| Show InChI InChI=1S/C18H12F3NO4S/c1-25-14-8-10(9-15-16(23)22-17(24)27-15)6-7-13(14)26-12-5-3-2-4-11(12)18(19,20)21/h2-9H,1H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50336730 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1C(F)(F)F)C#N |w:5.4,c:9| Show InChI InChI=1S/C19H11F3N2O4S/c1-27-15-7-10(8-16-17(25)24-18(26)29-16)2-5-14(15)28-13-4-3-11(9-23)6-12(13)19(20,21)22/h2-8H,1H3,(H,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity to ERalpha by fluorescence polarization assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336738 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(C#N)c2ccccc12 |w:5.4,c:9| Show InChI InChI=1S/C22H14N2O4S/c1-27-19-10-13(11-20-21(25)24-22(26)29-20)6-8-18(19)28-17-9-7-14(12-23)15-4-2-3-5-16(15)17/h2-11H,1H3,(H,24,25,26)	PDB MMDB 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	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at ERRalpha LBD expressed in HEK293 cells assessed as Gal4-SRC2 interaction by two hybrid luciferase reporter gene assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336754 (5-[4-(2-Chloro-4-trifluoromethylphenoxy)-3-methoxy...) Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1Cl)C(F)(F)F |w:5.4,c:9| Show InChI InChI=1S/C18H11ClF3NO4S/c1-26-14-6-9(7-15-16(24)23-17(25)28-15)2-4-13(14)27-12-5-3-10(8-11(12)19)18(20,21)22/h2-8H,1H3,(H,23,24,25)	PDB MMDB 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	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at ERRalpha LBD expressed in HEK293 cells assessed as Gal4-SRC2 interaction by two hybrid luciferase reporter gene assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336765 (2-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccccc1C#N |w:5.4,c:9| Show InChI InChI=1S/C18H12N2O4S/c1-23-15-8-11(9-16-17(21)20-18(22)25-16)6-7-14(15)24-13-5-3-2-4-12(13)10-19/h2-9H,1H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Agonist activity at 6his-tagged ERRalpha LBD assessed as recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50336753 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COC(=O)c1ccc(Oc2ccc(C=C3SC(O)=NC3=O)cc2OC)c(Cl)c1 |w:13.12,c:17| Show InChI InChI=1S/C19H14ClNO6S/c1-25-15-7-10(8-16-17(22)21-19(24)28-16)3-5-14(15)27-13-6-4-11(9-12(13)20)18(23)26-2/h3-9H,1-2H3,(H,21,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50336746 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)naphtha...) Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(Oc2ccc(C#N)c(c2)C(F)(F)F)c2ccccc12 |w:7.8,t:1| Show InChI InChI=1S/C22H11F3N2O3S/c23-22(24,25)17-10-14(7-5-13(17)11-26)30-18-8-6-12(15-3-1-2-4-16(15)18)9-19-20(28)27-21(29)31-19/h1-10H,(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Agonist activity at 6his-tagged ERRalpha LBD assessed as recruitment of GST-labeled coactivator Scr2 by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair

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