Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50040056   

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
Nuclear receptor subfamily 1 group D member 1 (Homo sapiens (Human))	BDBM50366238 (CHEMBL1961796) Show SMILES CCOC(=O)N1CCC(CN(Cc2ccc(s2)[N+]([O-])=O)Cc2ccc(Cl)cc2)C1 Show InChI InChI=1S/C20H24ClN3O4S/c1-2-28-20(25)23-10-9-16(13-23)12-22(11-15-3-5-17(21)6-4-15)14-18-7-8-19(29-18)24(26)27/h3-8,16H,2,9-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing Gal4 ligand binding domain assessed as inhibition of transcription after 24 h...				Bioorg Med Chem Lett 22: 4413-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.126 BindingDB Entry DOI: 10.7270/Q2D21ZPZ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1 (Homo sapiens (Human))	BDBM50388627 (CHEMBL2059543) Show SMILES COc1ccc(CN(CC(=O)OC(C)(C)C)Cc2ccc(s2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C19H24N2O5S/c1-19(2,3)26-18(22)13-20(11-14-5-7-15(25-4)8-6-14)12-16-9-10-17(27-16)21(23)24/h5-10H,11-13H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...				Bioorg Med Chem Lett 22: 4413-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.126 BindingDB Entry DOI: 10.7270/Q2D21ZPZ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1 (Homo sapiens (Human))	BDBM50388628 (CHEMBL2059544) Show SMILES CC(C)(C)OC(=O)CN(Cc1ccc(s1)[N+]([O-])=O)Cc1ccc(F)cc1 Show InChI InChI=1S/C18H21FN2O4S/c1-18(2,3)25-17(22)12-20(10-13-4-6-14(19)7-5-13)11-15-8-9-16(26-15)21(23)24/h4-9H,10-12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...				Bioorg Med Chem Lett 22: 4413-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.126 BindingDB Entry DOI: 10.7270/Q2D21ZPZ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1 (Homo sapiens (Human))	BDBM50388629 (CHEMBL2059545) Show SMILES CC(C)(C)OC(=O)CN(Cc1ccc(s1)[N+]([O-])=O)Cc1cccc2ccccc12 Show InChI InChI=1S/C22H24N2O4S/c1-22(2,3)28-21(25)15-23(14-18-11-12-20(29-18)24(26)27)13-17-9-6-8-16-7-4-5-10-19(16)17/h4-12H,13-15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...				Bioorg Med Chem Lett 22: 4413-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.126 BindingDB Entry DOI: 10.7270/Q2D21ZPZ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1 (Homo sapiens (Human))	BDBM50388630 (CHEMBL2059547) Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)OC(C)(C)C)Cc1ccc(s1)[N+]([O-])=O Show InChI InChI=1S/C18H22N2O6S2/c1-13-5-8-15(9-6-13)28(24,25)19(12-17(21)26-18(2,3)4)11-14-7-10-16(27-14)20(22)23/h5-10H,11-12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...				Bioorg Med Chem Lett 22: 4413-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.126 BindingDB Entry DOI: 10.7270/Q2D21ZPZ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1 (Homo sapiens (Human))	BDBM50388631 (CHEMBL2059548) Show SMILES CC(C)(C)OC(=O)CN(Cc1ccc(s1)[N+]([O-])=O)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C22H22N2O5S/c1-22(2,3)29-20(25)14-23(13-16-11-12-19(30-16)24(27)28)21(26)18-10-6-8-15-7-4-5-9-17(15)18/h4-12H,13-14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...				Bioorg Med Chem Lett 22: 4413-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.126 BindingDB Entry DOI: 10.7270/Q2D21ZPZ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1 (Homo sapiens (Human))	BDBM50388632 (CHEMBL2059549) Show SMILES CC(C)(C)OC(=O)CN(Cc1ccc(s1)[N+]([O-])=O)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C21H22N2O6S2/c1-21(2,3)29-20(24)14-22(13-16-11-12-19(30-16)23(25)26)31(27,28)18-10-6-8-15-7-4-5-9-17(15)18/h4-12H,13-14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...				Bioorg Med Chem Lett 22: 4413-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.126 BindingDB Entry DOI: 10.7270/Q2D21ZPZ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1 (Homo sapiens (Human))	BDBM50388633 (CHEMBL2059550) Show SMILES COC(=O)CN(Cc1ccc(s1)[N+]([O-])=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C15H15ClN2O4S/c1-22-15(19)10-17(8-11-2-4-12(16)5-3-11)9-13-6-7-14(23-13)18(20)21/h2-7H,8-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...				Bioorg Med Chem Lett 22: 4413-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.126 BindingDB Entry DOI: 10.7270/Q2D21ZPZ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1 (Homo sapiens (Human))	BDBM50388634 (CHEMBL2059552) Show SMILES NC(=O)CN(Cc1ccc(s1)[N+]([O-])=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C14H14ClN3O3S/c15-11-3-1-10(2-4-11)7-17(9-13(16)19)8-12-5-6-14(22-12)18(20)21/h1-6H,7-9H2,(H2,16,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...				Bioorg Med Chem Lett 22: 4413-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.126 BindingDB Entry DOI: 10.7270/Q2D21ZPZ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1 (Homo sapiens (Human))	BDBM50388635 (CHEMBL2059553) Show SMILES [O-][N+](=O)c1ccc(CN(CC#N)Cc2ccc(Cl)cc2)s1 Show InChI InChI=1S/C14H12ClN3O2S/c15-12-3-1-11(2-4-12)9-17(8-7-16)10-13-5-6-14(21-13)18(19)20/h1-6H,8-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...				Bioorg Med Chem Lett 22: 4413-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.126 BindingDB Entry DOI: 10.7270/Q2D21ZPZ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1 (Homo sapiens (Human))	BDBM50388636 (CHEMBL2059554) Show SMILES [O-][N+](=O)c1ccc(CN(Cc2ccc(Cl)cc2)Cc2ccc3ccccc3c2)s1 Show InChI InChI=1S/C23H19ClN2O2S/c24-21-9-6-17(7-10-21)14-25(16-22-11-12-23(29-22)26(27)28)15-18-5-8-19-3-1-2-4-20(19)13-18/h1-13H,14-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...				Bioorg Med Chem Lett 22: 4413-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.126 BindingDB Entry DOI: 10.7270/Q2D21ZPZ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1 (Homo sapiens (Human))	BDBM50388637 (CHEMBL2059555) Show SMILES [O-][N+](=O)c1ccc(CN(Cc2ccc(Cl)cc2)Cc2ccc(cc2)C(F)(F)F)s1 Show InChI InChI=1S/C20H16ClF3N2O2S/c21-17-7-3-15(4-8-17)12-25(13-18-9-10-19(29-18)26(27)28)11-14-1-5-16(6-2-14)20(22,23)24/h1-10H,11-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...				Bioorg Med Chem Lett 22: 4413-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.126 BindingDB Entry DOI: 10.7270/Q2D21ZPZ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1 (Homo sapiens (Human))	BDBM50388638 (CHEMBL2059556) Show SMILES [O-][N+](=O)c1ccc(CN(Cc2nc3ccccc3s2)Cc2ccc(Cl)cc2)s1 Show InChI InChI=1S/C20H16ClN3O2S2/c21-15-7-5-14(6-8-15)11-23(12-16-9-10-20(27-16)24(25)26)13-19-22-17-3-1-2-4-18(17)28-19/h1-10H,11-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...				Bioorg Med Chem Lett 22: 4413-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.126 BindingDB Entry DOI: 10.7270/Q2D21ZPZ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1 (Homo sapiens (Human))	BDBM50388639 (CHEMBL2059558) Show SMILES [O-][N+](=O)c1ccc(CN(CC2COc3ccccc3O2)Cc2ccc(Cl)cc2)s1 Show InChI InChI=1S/C21H19ClN2O4S/c22-16-7-5-15(6-8-16)11-23(13-18-9-10-21(29-18)24(25)26)12-17-14-27-19-3-1-2-4-20(19)28-17/h1-10,17H,11-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...				Bioorg Med Chem Lett 22: 4413-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.126 BindingDB Entry DOI: 10.7270/Q2D21ZPZ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1 (Homo sapiens (Human))	BDBM50388640 (CHEMBL2059559) Show SMILES [O-][N+](=O)c1ccc(CN(CC2CCCCC2)Cc2ccc(Cl)cc2)s1 Show InChI InChI=1S/C19H23ClN2O2S/c20-17-8-6-16(7-9-17)13-21(12-15-4-2-1-3-5-15)14-18-10-11-19(25-18)22(23)24/h6-11,15H,1-5,12-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...				Bioorg Med Chem Lett 22: 4413-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.126 BindingDB Entry DOI: 10.7270/Q2D21ZPZ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1 (Homo sapiens (Human))	BDBM50388641 (CHEMBL2059560) Show SMILES CC(C)(C)OC(=O)N1CCC(CN(Cc2ccc(s2)[N+]([O-])=O)Cc2ccc(Cl)cc2)C1 Show InChI InChI=1S/C22H28ClN3O4S/c1-22(2,3)30-21(27)25-11-10-17(14-25)13-24(12-16-4-6-18(23)7-5-16)15-19-8-9-20(31-19)26(28)29/h4-9,17H,10-15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...				Bioorg Med Chem Lett 22: 4413-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.126 BindingDB Entry DOI: 10.7270/Q2D21ZPZ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1 (Homo sapiens (Human))	BDBM50388642 (CHEMBL2059561) Show SMILES [O-][N+](=O)c1ccc(CN(Cc2ccc(Cl)cc2)C(=O)c2cccc3ccccc23)s1 Show InChI InChI=1S/C23H17ClN2O3S/c24-18-10-8-16(9-11-18)14-25(15-19-12-13-22(30-19)26(28)29)23(27)21-7-3-5-17-4-1-2-6-20(17)21/h1-13H,14-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...				Bioorg Med Chem Lett 22: 4413-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.126 BindingDB Entry DOI: 10.7270/Q2D21ZPZ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1 (Homo sapiens (Human))	BDBM50388643 (CHEMBL2059562) Show SMILES Cc1ccc(cc1)S(=O)(=O)N(Cc1ccc(s1)[N+]([O-])=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C19H17ClN2O4S2/c1-14-2-9-18(10-3-14)28(25,26)21(12-15-4-6-16(20)7-5-15)13-17-8-11-19(27-17)22(23)24/h2-11H,12-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...				Bioorg Med Chem Lett 22: 4413-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.126 BindingDB Entry DOI: 10.7270/Q2D21ZPZ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1 (Homo sapiens (Human))	BDBM50388644 (CHEMBL2059567) Show SMILES CC(C)(C)OC(=O)N1CCC(C1)N(Cc1ccc(s1)[N+]([O-])=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C21H26ClN3O4S/c1-21(2,3)29-20(26)23-11-10-17(13-23)24(12-15-4-6-16(22)7-5-15)14-18-8-9-19(30-18)25(27)28/h4-9,17H,10-14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...				Bioorg Med Chem Lett 22: 4413-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.126 BindingDB Entry DOI: 10.7270/Q2D21ZPZ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1 (Homo sapiens (Human))	BDBM50366238 (CHEMBL1961796) Show SMILES CCOC(=O)N1CCC(CN(Cc2ccc(s2)[N+]([O-])=O)Cc2ccc(Cl)cc2)C1 Show InChI InChI=1S/C20H24ClN3O4S/c1-2-28-20(25)23-10-9-16(13-23)12-22(11-15-3-5-17(21)6-4-15)14-18-7-8-19(29-18)24(26)27/h3-8,16H,2,9-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...				Bioorg Med Chem Lett 22: 4413-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.126 BindingDB Entry DOI: 10.7270/Q2D21ZPZ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1 (Homo sapiens (Human))	BDBM50388645 (CHEMBL2059572) Show SMILES [O-][N+](=O)c1ccc(CN(CC2CCN(C2)C(=O)OCC=C)Cc2ccc(Cl)cc2)s1 Show InChI InChI=1S/C21H24ClN3O4S/c1-2-11-29-21(26)24-10-9-17(14-24)13-23(12-16-3-5-18(22)6-4-16)15-19-7-8-20(30-19)25(27)28/h2-8,17H,1,9-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	670	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...				Bioorg Med Chem Lett 22: 4413-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.126 BindingDB Entry DOI: 10.7270/Q2D21ZPZ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1 (Homo sapiens (Human))	BDBM50388646 (CHEMBL2059573) Show SMILES [O-][N+](=O)c1ccc(CN(CC2CCN(C2)C(=O)Nc2ccccc2)Cc2ccc(Cl)cc2)s1 Show InChI InChI=1S/C24H25ClN4O3S/c25-20-8-6-18(7-9-20)14-27(17-22-10-11-23(33-22)29(31)32)15-19-12-13-28(16-19)24(30)26-21-4-2-1-3-5-21/h1-11,19H,12-17H2,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	620	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...				Bioorg Med Chem Lett 22: 4413-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.126 BindingDB Entry DOI: 10.7270/Q2D21ZPZ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1 (Homo sapiens (Human))	BDBM50388647 (CHEMBL2059574) Show SMILES CCCCNC(=O)N1CCC(CN(Cc2ccc(s2)[N+]([O-])=O)Cc2ccc(Cl)cc2)C1 Show InChI InChI=1S/C22H29ClN4O3S/c1-2-3-11-24-22(28)26-12-10-18(15-26)14-25(13-17-4-6-19(23)7-5-17)16-20-8-9-21(31-20)27(29)30/h4-9,18H,2-3,10-16H2,1H3,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	670	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...				Bioorg Med Chem Lett 22: 4413-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.126 BindingDB Entry DOI: 10.7270/Q2D21ZPZ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1 (Homo sapiens (Human))	BDBM50388648 (CHEMBL2059696) Show SMILES [O-][N+](=O)c1ccc(CN(CC2CCN(C2)C(=O)Nc2ccc(cc2)[N+]([O-])=O)Cc2ccc(Cl)cc2)s1 Show InChI InChI=1S/C24H24ClN5O5S/c25-19-3-1-17(2-4-19)13-27(16-22-9-10-23(36-22)30(34)35)14-18-11-12-28(15-18)24(31)26-20-5-7-21(8-6-20)29(32)33/h1-10,18H,11-16H2,(H,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...				Bioorg Med Chem Lett 22: 4413-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.126 BindingDB Entry DOI: 10.7270/Q2D21ZPZ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1 (Homo sapiens (Human))	BDBM50388649 (CHEMBL2059697) Show SMILES CS(=O)(=O)N1CCC(CN(Cc2ccc(s2)[N+]([O-])=O)Cc2ccc(Cl)cc2)C1 Show InChI InChI=1S/C18H22ClN3O4S2/c1-28(25,26)21-9-8-15(12-21)11-20(10-14-2-4-16(19)5-3-14)13-17-6-7-18(27-17)22(23)24/h2-7,15H,8-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	570	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...				Bioorg Med Chem Lett 22: 4413-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.126 BindingDB Entry DOI: 10.7270/Q2D21ZPZ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1 (Homo sapiens (Human))	BDBM50388650 (CHEMBL2059699) Show SMILES [O-][N+](=O)c1ccc(CN(CC2CCN(C2)S(=O)(=O)Cc2ccccc2)Cc2ccc(Cl)cc2)s1 Show InChI InChI=1S/C24H26ClN3O4S2/c25-22-8-6-19(7-9-22)14-26(17-23-10-11-24(33-23)28(29)30)15-21-12-13-27(16-21)34(31,32)18-20-4-2-1-3-5-20/h1-11,21H,12-18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	630	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...				Bioorg Med Chem Lett 22: 4413-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.126 BindingDB Entry DOI: 10.7270/Q2D21ZPZ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1 (Homo sapiens (Human))	BDBM50388651 (CHEMBL2059700) Show SMILES [O-][N+](=O)c1ccc(CN(CC2CCN(C2)S(=O)(=O)c2cccc3ccccc23)Cc2ccc(Cl)cc2)s1 Show InChI InChI=1S/C27H26ClN3O4S2/c28-23-10-8-20(9-11-23)16-29(19-24-12-13-27(36-24)31(32)33)17-21-14-15-30(18-21)37(34,35)26-7-3-5-22-4-1-2-6-25(22)26/h1-13,21H,14-19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	450	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...				Bioorg Med Chem Lett 22: 4413-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.126 BindingDB Entry DOI: 10.7270/Q2D21ZPZ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1 (Homo sapiens (Human))	BDBM50388652 (CHEMBL2059541) Show SMILES CC(C)(C)OC(=O)CN(Cc1ccc(s1)[N+]([O-])=O)Cc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C18H21N3O6S/c1-18(2,3)27-17(22)12-19(11-15-8-9-16(28-15)21(25)26)10-13-4-6-14(7-5-13)20(23)24/h4-9H,10-12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...				Bioorg Med Chem Lett 22: 4413-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.126 BindingDB Entry DOI: 10.7270/Q2D21ZPZ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1 (Homo sapiens (Human))	BDBM50388653 (CHEMBL2059570) Show SMILES CC(=O)N1CCC(CN(Cc2ccc(s2)[N+]([O-])=O)Cc2ccc(Cl)cc2)C1 Show InChI InChI=1S/C19H22ClN3O3S/c1-14(24)22-9-8-16(12-22)11-21(10-15-2-4-17(20)5-3-15)13-18-6-7-19(27-18)23(25)26/h2-7,16H,8-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...				Bioorg Med Chem Lett 22: 4413-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.126 BindingDB Entry DOI: 10.7270/Q2D21ZPZ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1 (Homo sapiens (Human))	BDBM50383684 (CHEMBL1961795) Show SMILES CC(C)(C)OC(=O)CN(Cc1ccc(s1)[N+]([O-])=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C18H21ClN2O4S/c1-18(2,3)25-17(22)12-20(10-13-4-6-14(19)7-5-13)11-15-8-9-16(26-15)21(23)24/h4-9H,10-12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...				Bioorg Med Chem Lett 22: 4413-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.126 BindingDB Entry DOI: 10.7270/Q2D21ZPZ
					More data for this Ligand-Target Pair