Compile Data Set for Download or QSAR

Found 31 hits with Last Name = 'horlick' and Initial = 'ra'   

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
Melanocortin receptor 4 (Mus musculus)	BDBM50142891 (2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...) Show SMILES COc1ccc(Br)cc1CCc1ccccc1C1=NCCN1 |t:19| Show InChI InChI=1S/C18H19BrN2O/c1-22-17-9-8-15(19)12-14(17)7-6-13-4-2-3-5-16(13)18-20-10-11-21-18/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity of the compound was determined against mice melanocortin 4 receptor using [125I]-[NDP]-R-MSH as radioligand in a membranefiltra...				J Med Chem 47: 1602-4 (2004) Article DOI: 10.1021/jm034244g BindingDB Entry DOI: 10.7270/Q2JQ10GG
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50142894 (2-[2-(5-Bromo-2-methoxy-benzylsulfanyl)-phenyl]-1,...) Show SMILES COc1ccc(Br)cc1CSc1ccccc1C1=NCCCN1 |t:19| Show InChI InChI=1S/C18H19BrN2OS/c1-22-16-8-7-14(19)11-13(16)12-23-17-6-3-2-5-15(17)18-20-9-4-10-21-18/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity of the compound was determined against mice melanocortin 4 receptor using [125I]-[NDP]-R-MSH as radioligand in a membranefiltra...				J Med Chem 47: 1602-4 (2004) Article DOI: 10.1021/jm034244g BindingDB Entry DOI: 10.7270/Q2JQ10GG
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50142895 (2-(2-(5-bromo-2-methoxyphenethyl)-3-fluorophenyl)-...) Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C1=NCCN1 |t:20| Show InChI InChI=1S/C18H18BrFN2O/c1-23-17-8-6-13(19)11-12(17)5-7-14-15(3-2-4-16(14)20)18-21-9-10-22-18/h2-4,6,8,11H,5,7,9-10H2,1H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity of the compound was determined against mice melanocortin 4 receptor using [125I]-[NDP]-R-MSH as radioligand in a membranefiltra...				J Med Chem 47: 1602-4 (2004) Article DOI: 10.1021/jm034244g BindingDB Entry DOI: 10.7270/Q2JQ10GG
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50142897 (2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...) Show SMILES COc1ccc(Br)cc1CCc1ccccc1C1=NCCCN1 |t:19| Show InChI InChI=1S/C19H21BrN2O/c1-23-18-10-9-16(20)13-15(18)8-7-14-5-2-3-6-17(14)19-21-11-4-12-22-19/h2-3,5-6,9-10,13H,4,7-8,11-12H2,1H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity of the compound was determined against mice melanocortin 4 receptor using [125I]-[NDP]-R-MSH as radioligand in a membranefiltra...				J Med Chem 47: 1602-4 (2004) Article DOI: 10.1021/jm034244g BindingDB Entry DOI: 10.7270/Q2JQ10GG
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50142893 (2-[2-(2,5-Dichloro-thiophen-3-ylmethylsulfanyl)-ph...) Show SMILES Clc1cc(CSc2ccccc2C2=NCCCN2)c(Cl)s1 |t:13| Show InChI InChI=1S/C15H14Cl2N2S2/c16-13-8-10(14(17)21-13)9-20-12-5-2-1-4-11(12)15-18-6-3-7-19-15/h1-2,4-5,8H,3,6-7,9H2,(H,18,19)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity of the compound was determined against mice melanocortin 4 receptor using [125I]-[NDP]-R-MSH as radioligand in a membranefiltra...				J Med Chem 47: 1602-4 (2004) Article DOI: 10.1021/jm034244g BindingDB Entry DOI: 10.7270/Q2JQ10GG
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50142896 (2-[2-(2-Chloro-6-fluoro-benzylsulfanyl)-phenyl]-1,...) Show SMILES Fc1cccc(Cl)c1CSc1ccccc1C1=NCCCN1 |t:18| Show InChI InChI=1S/C17H16ClFN2S/c18-14-6-3-7-15(19)13(14)11-22-16-8-2-1-5-12(16)17-20-9-4-10-21-17/h1-3,5-8H,4,9-11H2,(H,20,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity of the compound was determined against mice melanocortin 4 receptor using [125I]-[NDP]-R-MSH as radioligand in a membranefiltra...				J Med Chem 47: 1602-4 (2004) Article DOI: 10.1021/jm034244g BindingDB Entry DOI: 10.7270/Q2JQ10GG
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50142892 (2-[2-(2,6-Difluoro-benzylsulfanyl)-phenyl]-1,4,5,6...) Show SMILES Fc1cccc(F)c1CSc1ccccc1C1=NCCCN1 |t:18| Show InChI InChI=1S/C17H16F2N2S/c18-14-6-3-7-15(19)13(14)11-22-16-8-2-1-5-12(16)17-20-9-4-10-21-17/h1-3,5-8H,4,9-11H2,(H,20,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity of the compound was determined against mice melanocortin 4 receptor using [125I]-[NDP]-R-MSH as radioligand in a membranefiltra...				J Med Chem 47: 1602-4 (2004) Article DOI: 10.1021/jm034244g BindingDB Entry DOI: 10.7270/Q2JQ10GG
					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
X-Ceptor Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of estrogen-related receptor alpha Gal4 activity				J Med Chem 47: 5593-6 (2004) Article DOI: 10.1021/jm049334f BindingDB Entry DOI: 10.7270/Q2959H16
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50155821 (3-[4-(2,4-Bis-trifluoromethyl-benzyloxy)-3-methoxy...) Show SMILES CCc1nnc(NC(=O)C(=C\c2ccc(OCc3ccc(cc3C(F)(F)F)C(F)(F)F)c(OC)c2)\C#N)s1 Show InChI InChI=1S/C24H18F6N4O3S/c1-3-20-33-34-22(38-20)32-21(35)15(11-31)8-13-4-7-18(19(9-13)36-2)37-12-14-5-6-16(23(25,26)27)10-17(14)24(28,29)30/h4-10H,3,12H2,1-2H3,(H,32,34,35)/b15-8+	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	400	n/a	n/a	n/a	n/a	n/a	n/a
X-Ceptor Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of estrogen-related receptor alpha Gal4 activity				J Med Chem 47: 5593-6 (2004) Article DOI: 10.1021/jm049334f BindingDB Entry DOI: 10.7270/Q2959H16
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50155821 (3-[4-(2,4-Bis-trifluoromethyl-benzyloxy)-3-methoxy...) Show SMILES CCc1nnc(NC(=O)C(=C\c2ccc(OCc3ccc(cc3C(F)(F)F)C(F)(F)F)c(OC)c2)\C#N)s1 Show InChI InChI=1S/C24H18F6N4O3S/c1-3-20-33-34-22(38-20)32-21(35)15(11-31)8-13-4-7-18(19(9-13)36-2)37-12-14-5-6-16(23(25,26)27)10-17(14)24(28,29)30/h4-10H,3,12H2,1-2H3,(H,32,34,35)/b15-8+	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	400	n/a	n/a	n/a	n/a	n/a	n/a
X-Ceptor Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of estrogen-related receptor alpha Gal4 activity				J Med Chem 47: 5593-6 (2004) Article DOI: 10.1021/jm049334f BindingDB Entry DOI: 10.7270/Q2959H16
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50155832 (3-[4-(2,4-Bis-trifluoromethyl-benzyloxy)-3-methoxy...) Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2nnc(SC)s2)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H16F6N4O3S2/c1-35-18-8-12(7-14(10-30)19(34)31-20-32-33-21(37-2)38-20)3-6-17(18)36-11-13-4-5-15(22(24,25)26)9-16(13)23(27,28)29/h3-9H,11H2,1-2H3,(H,31,32,34)/b14-7+	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	440	n/a	n/a	n/a	n/a	n/a	n/a
X-Ceptor Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of estrogen-related receptor alpha Gal4 activity				J Med Chem 47: 5593-6 (2004) Article DOI: 10.1021/jm049334f BindingDB Entry DOI: 10.7270/Q2959H16
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50155822 (3-[4-(2,4-Bis-trifluoromethyl-benzyloxy)-3-methoxy...) Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2nnc(s2)-c2ccccc2)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H18F6N4O3S/c1-40-23-12-16(11-19(14-35)24(39)36-26-38-37-25(42-26)17-5-3-2-4-6-17)7-10-22(23)41-15-18-8-9-20(27(29,30)31)13-21(18)28(32,33)34/h2-13H,15H2,1H3,(H,36,38,39)/b19-11+	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
X-Ceptor Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of estrogen-related receptor alpha Gal4 activity				J Med Chem 47: 5593-6 (2004) Article DOI: 10.1021/jm049334f BindingDB Entry DOI: 10.7270/Q2959H16
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50155821 (3-[4-(2,4-Bis-trifluoromethyl-benzyloxy)-3-methoxy...) Show SMILES CCc1nnc(NC(=O)C(=C\c2ccc(OCc3ccc(cc3C(F)(F)F)C(F)(F)F)c(OC)c2)\C#N)s1 Show InChI InChI=1S/C24H18F6N4O3S/c1-3-20-33-34-22(38-20)32-21(35)15(11-31)8-13-4-7-18(19(9-13)36-2)37-12-14-5-6-16(23(25,26)27)10-17(14)24(28,29)30/h4-10H,3,12H2,1-2H3,(H,32,34,35)/b15-8+	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	610	n/a	n/a	n/a	n/a	n/a	n/a
X-Ceptor Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of estrogen-related receptor alpha Gal4 activity				J Med Chem 47: 5593-6 (2004) Article DOI: 10.1021/jm049334f BindingDB Entry DOI: 10.7270/Q2959H16
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50155825 (3-[4-(2,4-Bis-trifluoromethyl-benzyloxy)-3-methoxy...) Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2nncs2)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H14F6N4O3S/c1-34-18-7-12(6-14(9-29)19(33)31-20-32-30-11-36-20)2-5-17(18)35-10-13-3-4-15(21(23,24)25)8-16(13)22(26,27)28/h2-8,11H,10H2,1H3,(H,31,32,33)/b14-6+	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	750	n/a	n/a	n/a	n/a	n/a	n/a
X-Ceptor Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of estrogen-related receptor alpha Gal4 activity				J Med Chem 47: 5593-6 (2004) Article DOI: 10.1021/jm049334f BindingDB Entry DOI: 10.7270/Q2959H16
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50155820 (2-Cyano-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-3-[4-(5...) Show SMILES CCc1nnc(NC(=O)C(=C\c2ccc(OCc3cc(F)ccc3C(F)(F)F)c(OC)c2)\C#N)s1 Show InChI InChI=1S/C23H18F4N4O3S/c1-3-20-30-31-22(35-20)29-21(32)14(11-28)8-13-4-7-18(19(9-13)33-2)34-12-15-10-16(24)5-6-17(15)23(25,26)27/h4-10H,3,12H2,1-2H3,(H,29,31,32)/b14-8+	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
X-Ceptor Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of estrogen-related receptor alpha Gal4 activity				J Med Chem 47: 5593-6 (2004) Article DOI: 10.1021/jm049334f BindingDB Entry DOI: 10.7270/Q2959H16
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50155820 (2-Cyano-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-3-[4-(5...) Show SMILES CCc1nnc(NC(=O)C(=C\c2ccc(OCc3cc(F)ccc3C(F)(F)F)c(OC)c2)\C#N)s1 Show InChI InChI=1S/C23H18F4N4O3S/c1-3-20-30-31-22(35-20)29-21(32)14(11-28)8-13-4-7-18(19(9-13)33-2)34-12-15-10-16(24)5-6-17(15)23(25,26)27/h4-10H,3,12H2,1-2H3,(H,29,31,32)/b14-8+	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
X-Ceptor Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of estrogen-related receptor alpha Gal4 activity				J Med Chem 47: 5593-6 (2004) Article DOI: 10.1021/jm049334f BindingDB Entry DOI: 10.7270/Q2959H16
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50155830 (2-Cyano-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-3-[4-(4...) Show SMILES CCc1nnc(NC(=O)C(=C\c2ccc(OCc3ccc(F)cc3C(F)(F)F)c(OC)c2)\C#N)s1 Show InChI InChI=1S/C23H18F4N4O3S/c1-3-20-30-31-22(35-20)29-21(32)15(11-28)8-13-4-7-18(19(9-13)33-2)34-12-14-5-6-16(24)10-17(14)23(25,26)27/h4-10H,3,12H2,1-2H3,(H,29,31,32)/b15-8+	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	920	n/a	n/a	n/a	n/a	n/a	n/a
X-Ceptor Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of estrogen-related receptor alpha Gal4 activity				J Med Chem 47: 5593-6 (2004) Article DOI: 10.1021/jm049334f BindingDB Entry DOI: 10.7270/Q2959H16
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50155830 (2-Cyano-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-3-[4-(4...) Show SMILES CCc1nnc(NC(=O)C(=C\c2ccc(OCc3ccc(F)cc3C(F)(F)F)c(OC)c2)\C#N)s1 Show InChI InChI=1S/C23H18F4N4O3S/c1-3-20-30-31-22(35-20)29-21(32)15(11-28)8-13-4-7-18(19(9-13)33-2)34-12-14-5-6-16(24)10-17(14)23(25,26)27/h4-10H,3,12H2,1-2H3,(H,29,31,32)/b15-8+	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	920	n/a	n/a	n/a	n/a	n/a	n/a
X-Ceptor Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of estrogen-related receptor alpha Gal4 activity				J Med Chem 47: 5593-6 (2004) Article DOI: 10.1021/jm049334f BindingDB Entry DOI: 10.7270/Q2959H16
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50155828 (6-[1-{4-[2-(2,6-Dimethyl-phenoxy)-ethoxy]-3-methox...) Show SMILES CCC1=NN2C\C(=C\c3ccc(OCCOc4c(C)cccc4C)c(OC)c3)C(=O)N=C2S1 |c:32,t:2| Show InChI InChI=1S/C25H27N3O4S/c1-5-22-27-28-15-19(24(29)26-25(28)33-22)13-18-9-10-20(21(14-18)30-4)31-11-12-32-23-16(2)7-6-8-17(23)3/h6-10,13-14H,5,11-12,15H2,1-4H3/b19-13-	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	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
X-Ceptor Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of estrogen-related receptor alpha in FP assay				J Med Chem 47: 5593-6 (2004) Article DOI: 10.1021/jm049334f BindingDB Entry DOI: 10.7270/Q2959H16
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50155815 (2-Cyano-3-{4-[2-(2,6-dimethyl-phenoxy)-ethoxy]-3-m...) Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2nncs2)ccc1OCCOc1c(C)cccc1C Show InChI InChI=1S/C23H22N4O4S/c1-15-5-4-6-16(2)21(15)31-10-9-30-19-8-7-17(12-20(19)29-3)11-18(13-24)22(28)26-23-27-25-14-32-23/h4-8,11-12,14H,9-10H2,1-3H3,(H,26,27,28)/b18-11+	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	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
X-Ceptor Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of estrogen-related receptor alpha Gal4 activity				J Med Chem 47: 5593-6 (2004) Article DOI: 10.1021/jm049334f BindingDB Entry DOI: 10.7270/Q2959H16
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50155817 (2-Cyano-3-{4-[2-(2,6-dimethyl-phenoxy)-ethoxy]-3-m...) Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2nnc(s2)C(F)(F)F)ccc1OCCOc1c(C)cccc1C Show InChI InChI=1S/C24H21F3N4O4S/c1-14-5-4-6-15(2)20(14)35-10-9-34-18-8-7-16(12-19(18)33-3)11-17(13-28)21(32)29-23-31-30-22(36-23)24(25,26)27/h4-8,11-12H,9-10H2,1-3H3,(H,29,31,32)/b17-11+	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	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
X-Ceptor Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of estrogen-related receptor alpha Gal4 activity				J Med Chem 47: 5593-6 (2004) Article DOI: 10.1021/jm049334f BindingDB Entry DOI: 10.7270/Q2959H16
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50155819 (CHEMBL188396 | N-(5-tert-Butyl-[1,3,4]thiadiazol-2...) Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2nnc(s2)C(C)(C)C)ccc1OCCOc1c(C)cccc1C Show InChI InChI=1S/C27H30N4O4S/c1-17-8-7-9-18(2)23(17)35-13-12-34-21-11-10-19(15-22(21)33-6)14-20(16-28)24(32)29-26-31-30-25(36-26)27(3,4)5/h7-11,14-15H,12-13H2,1-6H3,(H,29,31,32)/b20-14+	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	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
X-Ceptor Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of estrogen-related receptor alpha Gal4 activity				J Med Chem 47: 5593-6 (2004) Article DOI: 10.1021/jm049334f BindingDB Entry DOI: 10.7270/Q2959H16
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50155824 (2-Cyano-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-3-[3-me...) Show SMILES CCc1nnc(NC(=O)C(=C\c2ccc(OCc3cccc4ccccc34)c(OC)c2)\C#N)s1 Show InChI InChI=1S/C26H22N4O3S/c1-3-24-29-30-26(34-24)28-25(31)20(15-27)13-17-11-12-22(23(14-17)32-2)33-16-19-9-6-8-18-7-4-5-10-21(18)19/h4-14H,3,16H2,1-2H3,(H,28,30,31)/b20-13+	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
X-Ceptor Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of estrogen-related receptor alpha Gal4 activity				J Med Chem 47: 5593-6 (2004) Article DOI: 10.1021/jm049334f BindingDB Entry DOI: 10.7270/Q2959H16
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50155831 (2-Cyano-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-3-[3-me...) Show SMILES CCc1nnc(NC(=O)C(=C\c2ccc(OCc3ccccc3OC(F)(F)F)c(OC)c2)\C#N)s1 Show InChI InChI=1S/C23H19F3N4O4S/c1-3-20-29-30-22(35-20)28-21(31)16(12-27)10-14-8-9-18(19(11-14)32-2)33-13-15-6-4-5-7-17(15)34-23(24,25)26/h4-11H,3,13H2,1-2H3,(H,28,30,31)/b16-10+	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
X-Ceptor Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of estrogen-related receptor alpha Gal4 activity				J Med Chem 47: 5593-6 (2004) Article DOI: 10.1021/jm049334f BindingDB Entry DOI: 10.7270/Q2959H16
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50155829 (2-Cyano-N-[5-(4-dimethylamino-phenyl)-[1,3,4]thiad...) Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2nnc(s2)-c2ccc(cc2)N(C)C)ccc1OCCOc1c(C)cccc1C Show InChI InChI=1S/C31H31N5O4S/c1-20-7-6-8-21(2)28(20)40-16-15-39-26-14-9-22(18-27(26)38-5)17-24(19-32)29(37)33-31-35-34-30(41-31)23-10-12-25(13-11-23)36(3)4/h6-14,17-18H,15-16H2,1-5H3,(H,33,35,37)/b24-17+	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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
X-Ceptor Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of estrogen-related receptor alpha Gal4 activity				J Med Chem 47: 5593-6 (2004) Article DOI: 10.1021/jm049334f BindingDB Entry DOI: 10.7270/Q2959H16
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50155823 (2-Cyano-3-{4-[2-(2,6-dimethyl-phenoxy)-ethoxy]-3-m...) Show SMILES CCc1nnc(NC(=O)C(=C\c2ccc(OCCOc3c(C)cccc3C)c(OC)c2)\C#N)s1 Show InChI InChI=1S/C25H26N4O4S/c1-5-22-28-29-25(34-22)27-24(30)19(15-26)13-18-9-10-20(21(14-18)31-4)32-11-12-33-23-16(2)7-6-8-17(23)3/h6-10,13-14H,5,11-12H2,1-4H3,(H,27,29,30)/b19-13+	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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
X-Ceptor Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of estrogen-related receptor alpha Gal4 activity				J Med Chem 47: 5593-6 (2004) Article DOI: 10.1021/jm049334f BindingDB Entry DOI: 10.7270/Q2959H16
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50155816 (3-[4-(2-Bromo-benzyloxy)-3-methoxy-phenyl]-2-cyano...) Show SMILES CCc1nnc(NC(=O)C(=C\c2ccc(OCc3ccccc3Br)c(OC)c2)\C#N)s1 Show InChI InChI=1S/C22H19BrN4O3S/c1-3-20-26-27-22(31-20)25-21(28)16(12-24)10-14-8-9-18(19(11-14)29-2)30-13-15-6-4-5-7-17(15)23/h4-11H,3,13H2,1-2H3,(H,25,27,28)/b16-10+	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	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
X-Ceptor Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of estrogen-related receptor alpha Gal4 activity				J Med Chem 47: 5593-6 (2004) Article DOI: 10.1021/jm049334f BindingDB Entry DOI: 10.7270/Q2959H16
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50155828 (6-[1-{4-[2-(2,6-Dimethyl-phenoxy)-ethoxy]-3-methox...) Show SMILES CCC1=NN2C\C(=C\c3ccc(OCCOc4c(C)cccc4C)c(OC)c3)C(=O)N=C2S1 |c:32,t:2| Show InChI InChI=1S/C25H27N3O4S/c1-5-22-27-28-15-19(24(29)26-25(28)33-22)13-18-9-10-20(21(14-18)30-4)31-11-12-32-23-16(2)7-6-8-17(23)3/h6-10,13-14H,5,11-12,15H2,1-4H3/b19-13-	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	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
X-Ceptor Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of estrogen-related receptor alpha Gal4 activity				J Med Chem 47: 5593-6 (2004) Article DOI: 10.1021/jm049334f BindingDB Entry DOI: 10.7270/Q2959H16
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50155827 (2-Cyano-3-{4-[2-(2,6-dimethyl-phenoxy)-ethoxy]-3-m...) Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2nnc(SC)s2)ccc1OCCOc1c(C)cccc1C Show InChI InChI=1S/C24H24N4O4S2/c1-15-6-5-7-16(2)21(15)32-11-10-31-19-9-8-17(13-20(19)30-3)12-18(14-25)22(29)26-23-27-28-24(33-4)34-23/h5-9,12-13H,10-11H2,1-4H3,(H,26,27,29)/b18-12+	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
X-Ceptor Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of estrogen-related receptor alpha Gal4 activity				J Med Chem 47: 5593-6 (2004) Article DOI: 10.1021/jm049334f BindingDB Entry DOI: 10.7270/Q2959H16
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50155826 (2-Cyano-3-{4-[2-(2,6-dimethyl-phenoxy)-ethoxy]-3-m...) Show SMILES CCc1nnc(NC(=O)C(=C\c2ccc(OCCOc3c(C)cccc3C)c(OC)c2)\C#N)o1 Show InChI InChI=1S/C25H26N4O5/c1-5-22-28-29-25(34-22)27-24(30)19(15-26)13-18-9-10-20(21(14-18)31-4)32-11-12-33-23-16(2)7-6-8-17(23)3/h6-10,13-14H,5,11-12H2,1-4H3,(H,27,29,30)/b19-13+	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	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
X-Ceptor Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of estrogen-related receptor alpha Gal4 activity				J Med Chem 47: 5593-6 (2004) Article DOI: 10.1021/jm049334f BindingDB Entry DOI: 10.7270/Q2959H16
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50155818 (3-[4-(2,4-Bis-trifluoromethyl-benzyloxy)-3-methoxy...) Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2nnc(s2)C(C)(C)C)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H22F6N4O3S/c1-24(2,3)22-35-36-23(40-22)34-21(37)16(12-33)9-14-5-8-19(20(10-14)38-4)39-13-15-6-7-17(25(27,28)29)11-18(15)26(30,31)32/h5-11H,13H2,1-4H3,(H,34,36,37)/b16-9+	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+4	n/a	n/a	n/a	n/a	n/a	n/a
X-Ceptor Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of estrogen-related receptor alpha Gal4 activity				J Med Chem 47: 5593-6 (2004) Article DOI: 10.1021/jm049334f BindingDB Entry DOI: 10.7270/Q2959H16
					More data for this Ligand-Target Pair