Compile Data Set for Download or QSAR

Found 171 hits with Last Name = 'kasturi' and Initial = 'j'   

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))	BDBM50276796 (CHEMBL4170306) Show SMILES CN1CCC[C@H]1CN1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O |r| Show InChI InChI=1S/C25H22ClF3N4O2S/c1-31-8-2-3-19(31)14-32-23(34)22(36-24(32)35)10-15-4-7-21-17(9-15)12-30-33(21)13-16-5-6-18(26)11-20(16)25(27,28)29/h4-7,9-12,19H,2-3,8,13-14H2,1H3/b22-10-/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50276802 (4-OHT | Afimoxifene | TamoGel) Show SMILES CCC(=C(c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Inhibition of fluormone ES2 green binding to recombinant full length human ERalpha expressed in insect cells by fluorescence polarization assay				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Inhibition of fluormone ES2 binding to recombinant full length human ERbeta expressed in insect cells by fluorescence polarization assay				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50276805 (CHEMBL4166492) Show SMILES CC(=O)NS(=O)(=O)CN1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O Show InChI InChI=1S/C22H16ClF3N4O5S2/c1-12(31)28-37(34,35)11-29-20(32)19(36-21(29)33)7-13-2-5-18-15(6-13)9-27-30(18)10-14-3-4-16(23)8-17(14)22(24,25)26/h2-9H,10-11H2,1H3,(H,28,31)/b19-7-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50276818 (CHEMBL4161346) Show SMILES COc1ccc(Cn2ncc3cc(\C=C4/SC(=O)N(C5CCC(CC5)C(O)=O)C4=O)ccc23)c(c1)C(F)(F)F |(9.02,-29.93,;9.49,-28.47,;8.46,-27.32,;8.94,-25.85,;7.91,-24.71,;6.41,-25.04,;5.38,-23.89,;5.86,-22.43,;4.95,-21.18,;5.86,-19.94,;7.32,-20.41,;8.65,-19.64,;9.99,-20.4,;11.32,-19.63,;12.66,-20.39,;12.82,-21.92,;14.33,-22.24,;14.96,-23.64,;15.09,-20.9,;16.62,-20.73,;17.53,-21.98,;19.05,-21.81,;19.68,-20.41,;18.77,-19.16,;17.23,-19.32,;21.21,-20.24,;22.12,-21.49,;21.84,-18.83,;14.06,-19.76,;14.37,-18.25,;9.99,-21.95,;8.66,-22.72,;7.32,-21.95,;5.93,-26.49,;6.95,-27.64,;4.41,-26.8,;3.04,-27.09,;3.16,-25.79,;3.67,-28.23,)| Show InChI InChI=1S/C27H24F3N3O5S/c1-38-20-8-5-17(21(12-20)27(28,29)30)14-32-22-9-2-15(10-18(22)13-31-32)11-23-24(34)33(26(37)39-23)19-6-3-16(4-7-19)25(35)36/h2,5,8-13,16,19H,3-4,6-7,14H2,1H3,(H,35,36)/b23-11-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50276803 (CHEMBL4169272) Show SMILES COc1ccc(Cn2ncc3cc(\C=C4/SC(=O)N(CCN5CCOCC5)C4=O)ccc23)c(c1)C(F)(F)F Show InChI InChI=1S/C26H25F3N4O4S/c1-36-20-4-3-18(21(14-20)26(27,28)29)16-33-22-5-2-17(12-19(22)15-30-33)13-23-24(34)32(25(35)38-23)7-6-31-8-10-37-11-9-31/h2-5,12-15H,6-11,16H2,1H3/b23-13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50276817 (CHEMBL4159613) Show SMILES OC(=O)CN1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O Show InChI InChI=1S/C21H13ClF3N3O4S/c22-14-3-2-12(15(7-14)21(23,24)25)9-28-16-4-1-11(5-13(16)8-26-28)6-17-19(31)27(10-18(29)30)20(32)33-17/h1-8H,9-10H2,(H,29,30)/b17-6-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50276834 (CHEMBL4163909) Show SMILES COc1ccc(Cn2ncc3cc(\C=C4/SC(=O)N(CC(O)=O)C4=O)ccc23)c(c1)C(F)(F)F Show InChI InChI=1S/C22H16F3N3O5S/c1-33-15-4-3-13(16(8-15)22(23,24)25)10-28-17-5-2-12(6-14(17)9-26-28)7-18-20(31)27(11-19(29)30)21(32)34-18/h2-9H,10-11H2,1H3,(H,29,30)/b18-7-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					More data for this Ligand-Target Pair
Estrogen-related receptor gamma (Homo sapiens (Human))	BDBM50276802 (4-OHT | Afimoxifene | TamoGel) Show SMILES CCC(=C(c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at ERRgamma (unknown origin) assessed as inhibition of co-activator peptide recruitment by TR-FRET assay				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50276816 (CHEMBL4166832) Show SMILES OC(=O)C1CCC(CC1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O |(47.59,-35.76,;46.69,-34.51,;47.31,-33.11,;45.15,-34.68,;44.52,-36.09,;43,-36.25,;42.09,-35,;42.71,-33.59,;44.24,-33.43,;40.57,-35.17,;39.8,-36.51,;40.43,-37.91,;38.29,-36.19,;38.13,-34.66,;36.79,-33.9,;35.46,-34.67,;35.47,-36.22,;34.13,-37,;32.79,-36.23,;31.33,-36.7,;30.85,-38.16,;31.88,-39.31,;33.38,-38.98,;34.41,-40.12,;33.94,-41.59,;34.97,-42.74,;32.43,-41.91,;31.4,-40.77,;29.88,-41.08,;28.51,-41.36,;28.63,-40.06,;29.14,-42.51,;30.43,-35.45,;31.33,-34.21,;32.8,-34.69,;34.12,-33.91,;39.53,-34.03,;39.84,-32.52,)| Show InChI InChI=1S/C26H21ClF3N3O4S/c27-18-5-2-16(20(11-18)26(28,29)30)13-32-21-8-1-14(9-17(21)12-31-32)10-22-23(34)33(25(37)38-22)19-6-3-15(4-7-19)24(35)36/h1-2,5,8-12,15,19H,3-4,6-7,13H2,(H,35,36)/b22-10-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50276822 (CHEMBL4165363) Show SMILES FC(F)(F)c1cc(Cl)ccc1Cn1ncc2cc(\C=C3/SC(=O)N(Cc4nnn[nH]4)C3=O)ccc12 Show InChI InChI=1S/C21H13ClF3N7O2S/c22-14-3-2-12(15(7-14)21(23,24)25)9-32-16-4-1-11(5-13(16)8-26-32)6-17-19(33)31(20(34)35-17)10-18-27-29-30-28-18/h1-8H,9-10H2,(H,27,28,29,30)/b17-6-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					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	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))	BDBM50276830 (CHEMBL4172209) Show SMILES OCCN1CCC(CC1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O Show InChI InChI=1S/C26H24ClF3N4O3S/c27-19-3-2-17(21(13-19)26(28,29)30)15-33-22-4-1-16(11-18(22)14-31-33)12-23-24(36)34(25(37)38-23)20-5-7-32(8-6-20)9-10-35/h1-4,11-14,20,35H,5-10,15H2/b23-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50276811 (CHEMBL4172522) Show SMILES FC(F)(F)c1cc(Cl)ccc1Cn1ncc2cc(\C=C3/SC(=O)N(C[C@H]4COCCN4)C3=O)ccc12 |r| Show InChI InChI=1S/C24H20ClF3N4O3S/c25-17-3-2-15(19(9-17)24(26,27)28)11-32-20-4-1-14(7-16(20)10-30-32)8-21-22(33)31(23(34)36-21)12-18-13-35-6-5-29-18/h1-4,7-10,18,29H,5-6,11-13H2/b21-8-/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					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))	BDBM50276814 (CHEMBL4163054) Show SMILES FC(F)(F)c1cc(Cl)ccc1Cn1ncc2cc(\C=C3/SC(=O)N(C4CCNCC4)C3=O)ccc12 Show InChI InChI=1S/C24H20ClF3N4O2S/c25-17-3-2-15(19(11-17)24(26,27)28)13-31-20-4-1-14(9-16(20)12-30-31)10-21-22(33)32(23(34)35-21)18-5-7-29-8-6-18/h1-4,9-12,18,29H,5-8,13H2/b21-10-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50276795 (CHEMBL4163375) Show SMILES FC(F)(F)c1cc(Cl)ccc1Cn1ncc2cc(\C=C3/SC(=O)N(CCN4CCCC4)C3=O)ccc12 Show InChI InChI=1S/C25H22ClF3N4O2S/c26-19-5-4-17(20(13-19)25(27,28)29)15-33-21-6-3-16(11-18(21)14-30-33)12-22-23(34)32(24(35)36-22)10-9-31-7-1-2-8-31/h3-6,11-14H,1-2,7-10,15H2/b22-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50276835 (CHEMBL4173278) Show SMILES CS(=O)(=O)NC(=O)CN1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O Show InChI InChI=1S/C22H16ClF3N4O5S2/c1-37(34,35)28-19(31)11-29-20(32)18(36-21(29)33)7-12-2-5-17-14(6-12)9-27-30(17)10-13-3-4-15(23)8-16(13)22(24,25)26/h2-9H,10-11H2,1H3,(H,28,31)/b18-7-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50276823 (CHEMBL4177113) Show SMILES NS(=O)(=O)NC(=O)CN1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O Show InChI InChI=1S/C21H15ClF3N5O5S2/c22-14-3-2-12(15(7-14)21(23,24)25)9-30-16-4-1-11(5-13(16)8-27-30)6-17-19(32)29(20(33)36-17)10-18(31)28-37(26,34)35/h1-8H,9-10H2,(H,28,31)(H2,26,34,35)/b17-6-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50276836 (CHEMBL4173757) Show SMILES CN1CCC(CC1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O Show InChI InChI=1S/C25H22ClF3N4O2S/c1-31-8-6-19(7-9-31)33-23(34)22(36-24(33)35)11-15-2-5-21-17(10-15)13-30-32(21)14-16-3-4-18(26)12-20(16)25(27,28)29/h2-5,10-13,19H,6-9,14H2,1H3/b22-11-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50276812 (CHEMBL4164196) Show SMILES CN1CC[C@@H]([C@@H](F)C1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O |r| Show InChI InChI=1S/C25H21ClF4N4O2S/c1-32-7-6-21(19(27)13-32)34-23(35)22(37-24(34)36)9-14-2-5-20-16(8-14)11-31-33(20)12-15-3-4-17(26)10-18(15)25(28,29)30/h2-5,8-11,19,21H,6-7,12-13H2,1H3/b22-9-/t19-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50276797 (CHEMBL4174856) Show SMILES CN1CC[C@H]([C@H](F)C1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O |r| Show InChI InChI=1S/C25H21ClF4N4O2S/c1-32-7-6-21(19(27)13-32)34-23(35)22(37-24(34)36)9-14-2-5-20-16(8-14)11-31-33(20)12-15-3-4-17(26)10-18(15)25(28,29)30/h2-5,8-11,19,21H,6-7,12-13H2,1H3/b22-9-/t19-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50276833 (CHEMBL4175927) Show SMILES CN1CC[C@H]([C@H](O)C1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O |r| Show InChI InChI=1S/C25H22ClF3N4O3S/c1-31-7-6-20(21(34)13-31)33-23(35)22(37-24(33)36)9-14-2-5-19-16(8-14)11-30-32(19)12-15-3-4-17(26)10-18(15)25(27,28)29/h2-5,8-11,20-21,34H,6-7,12-13H2,1H3/b22-9-/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50276831 (CHEMBL4164640) Show SMILES N[C@@H](CO)CN1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O |r| Show InChI InChI=1S/C22H18ClF3N4O3S/c23-15-3-2-13(17(7-15)22(24,25)26)9-30-18-4-1-12(5-14(18)8-28-30)6-19-20(32)29(21(33)34-19)10-16(27)11-31/h1-8,16,31H,9-11,27H2/b19-6-/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50276824 (CHEMBL4169919) Show SMILES CN(C)S(=O)(=O)NC(=O)CN1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O Show InChI InChI=1S/C23H19ClF3N5O5S2/c1-30(2)39(36,37)29-20(33)12-31-21(34)19(38-22(31)35)8-13-3-6-18-15(7-13)10-28-32(18)11-14-4-5-16(24)9-17(14)23(25,26)27/h3-10H,11-12H2,1-2H3,(H,29,33)/b19-8-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50276825 (CHEMBL4161594) Show SMILES C[C@H](N)CN1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O |r| Show InChI InChI=1S/C22H18ClF3N4O2S/c1-12(27)10-29-20(31)19(33-21(29)32)7-13-2-5-18-15(6-13)9-28-30(18)11-14-3-4-16(23)8-17(14)22(24,25)26/h2-9,12H,10-11,27H2,1H3/b19-7-/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50276810 (CHEMBL4161992) Show SMILES FC(F)(F)c1cc(Cl)ccc1Cn1ncc2cc(\C=C3/SC(=O)N(CC(=O)NS(=O)(=O)N4CCCC4)C3=O)ccc12 Show InChI InChI=1S/C25H21ClF3N5O5S2/c26-18-5-4-16(19(11-18)25(27,28)29)13-34-20-6-3-15(9-17(20)12-30-34)10-21-23(36)33(24(37)40-21)14-22(35)31-41(38,39)32-7-1-2-8-32/h3-6,9-12H,1-2,7-8,13-14H2,(H,31,35)/b21-10-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50276832 (CHEMBL4168072) Show SMILES O[C@@H]1CNCC[C@H]1N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O |r| Show InChI InChI=1S/C24H20ClF3N4O3S/c25-16-3-2-14(17(9-16)24(26,27)28)12-31-18-4-1-13(7-15(18)10-30-31)8-21-22(34)32(23(35)36-21)19-5-6-29-11-20(19)33/h1-4,7-10,19-20,29,33H,5-6,11-12H2/b21-8-/t19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50276804 (CHEMBL4171282) Show SMILES OC(=O)CN1C(=O)S\C(=C/c2ccc3n(Cc4ccc(cc4C(F)(F)F)C(F)(F)F)ncc3c2)C1=O Show InChI InChI=1S/C22H13F6N3O4S/c23-21(24,25)14-3-2-12(15(7-14)22(26,27)28)9-31-16-4-1-11(5-13(16)8-29-31)6-17-19(34)30(10-18(32)33)20(35)36-17/h1-8H,9-10H2,(H,32,33)/b17-6-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50276821 (CHEMBL4167938) Show SMILES Cc1nn(Cc2ccc(Cl)cc2C(F)(F)F)c2ccc(\C=C3/SC(=O)N(CC(O)=O)C3=O)cc12 Show InChI InChI=1S/C22H15ClF3N3O4S/c1-11-15-6-12(7-18-20(32)28(10-19(30)31)21(33)34-18)2-5-17(15)29(27-11)9-13-3-4-14(23)8-16(13)22(24,25)26/h2-8H,9-10H2,1H3,(H,30,31)/b18-7-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50276815 (CHEMBL4171419) Show SMILES F[C@@H]1CNCC[C@H]1N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O |r| Show InChI InChI=1S/C24H19ClF4N4O2S/c25-16-3-2-14(17(9-16)24(27,28)29)12-32-19-4-1-13(7-15(19)10-31-32)8-21-22(34)33(23(35)36-21)20-5-6-30-11-18(20)26/h1-4,7-10,18,20,30H,5-6,11-12H2/b21-8-/t18-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					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))	BDBM50276819 (CHEMBL4174736) Show SMILES FC(F)(F)c1cc(Cl)ccc1Cn1ncc2cc(\C=C3/SC(=O)N(CCN4CCOCC4)C3=O)ccc12 Show InChI InChI=1S/C25H22ClF3N4O3S/c26-19-3-2-17(20(13-19)25(27,28)29)15-33-21-4-1-16(11-18(21)14-30-33)12-22-23(34)32(24(35)37-22)6-5-31-7-9-36-10-8-31/h1-4,11-14H,5-10,15H2/b22-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50276838 (CHEMBL4160799) Show SMILES CN1CC[C@@H]([C@H](F)C1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O |r| Show InChI InChI=1S/C25H21ClF4N4O2S/c1-32-7-6-21(19(27)13-32)34-23(35)22(37-24(34)36)9-14-2-5-20-16(8-14)11-31-33(20)12-15-3-4-17(26)10-18(15)25(28,29)30/h2-5,8-11,19,21H,6-7,12-13H2,1H3/b22-9-/t19-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50276813 (CHEMBL4170236) Show SMILES COc1ccc(Cn2ncc3cc(\C=C4/SC(=O)N(CCN5CCCC5)C4=O)ccc23)c(c1)C(F)(F)F Show InChI InChI=1S/C26H25F3N4O3S/c1-36-20-6-5-18(21(14-20)26(27,28)29)16-33-22-7-4-17(12-19(22)15-30-33)13-23-24(34)32(25(35)37-23)11-10-31-8-2-3-9-31/h4-7,12-15H,2-3,8-11,16H2,1H3/b23-13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					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))	BDBM50276837 (CHEMBL4159675) Show SMILES Cc1nn(Cc2ccc(Cl)cc2C(F)(F)F)c2ccc(\C=C3/SC(=O)N(CC(=O)NS(=O)(=O)N4CCCC4)C3=O)cc12 Show InChI InChI=1S/C26H23ClF3N5O5S2/c1-15-19-10-16(4-7-21(19)35(31-15)13-17-5-6-18(27)12-20(17)26(28,29)30)11-22-24(37)34(25(38)41-22)14-23(36)32-42(39,40)33-8-2-3-9-33/h4-7,10-12H,2-3,8-9,13-14H2,1H3,(H,32,36)/b22-11-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					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
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50030474 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...) Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)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/h2-9,15H,10-12H2,1H3,(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Inhibition of fluormone PPARgamma Green binding to recombinant N-terminal GST-tagged human PPARgamma LBD by fluorescence polarization assay				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					More data for this Ligand-Target Pair				3D Structure (crystal)
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

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