null

SMILES: CC1(CC2(c3ccccc3C1c1ccccc21)[N+]([O-])=O)C(=O)Nc1nccs1

InChI Key: InChIKey=KEWCYYFXAJWDRP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50249108   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50249108 (15-methyl-8-nitro-N-(1,3-thiazol-2-yl)tetracyclo[6...) Show SMILES CC1(CC2(c3ccccc3C1c1ccccc21)[N+]([O-])=O)C(=O)Nc1nccs1 |TLB:0:1:4.9:11.16,8:9:2.1:11.16,12:11:4.9:2.1,THB:20:1:4.9:11.16,(18.83,.65,;20.18,-.12,;20.69,-.89,;20.69,-3.09,;18.83,-3.61,;17.48,-4.38,;16.14,-3.61,;16.15,-2.06,;17.48,-1.29,;18.79,-2.21,;20.18,-1.54,;21.71,-2.44,;22.99,-1.7,;24.27,-2.43,;24.27,-3.92,;22.99,-4.66,;21.71,-3.92,;20.68,-4.62,;19.34,-5.38,;22,-5.4,;20.94,1.22,;20.15,2.55,;22.48,1.24,;23.24,2.58,;24.78,2.76,;25.08,4.27,;23.74,5.03,;22.6,3.99,)| Show InChI InChI=1S/C21H17N3O3S/c1-20(18(25)23-19-22-10-11-28-19)12-21(24(26)27)15-8-4-2-6-13(15)17(20)14-7-3-5-9-16(14)21/h2-11,17H,12H2,1H3,(H,22,23,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Transrepression activity at GR in PMA-stimulated human A549 cells assessed as inhibition of AP1 response element-induced luciferase reporter gene act...				Bioorg Med Chem Lett 19: 2139-43 (2009) Article DOI: 10.1016/j.bmcl.2009.03.006 BindingDB Entry DOI: 10.7270/Q2XW4KRC
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50249108 (15-methyl-8-nitro-N-(1,3-thiazol-2-yl)tetracyclo[6...) Show SMILES CC1(CC2(c3ccccc3C1c1ccccc21)[N+]([O-])=O)C(=O)Nc1nccs1 |TLB:0:1:4.9:11.16,8:9:2.1:11.16,12:11:4.9:2.1,THB:20:1:4.9:11.16,(18.83,.65,;20.18,-.12,;20.69,-.89,;20.69,-3.09,;18.83,-3.61,;17.48,-4.38,;16.14,-3.61,;16.15,-2.06,;17.48,-1.29,;18.79,-2.21,;20.18,-1.54,;21.71,-2.44,;22.99,-1.7,;24.27,-2.43,;24.27,-3.92,;22.99,-4.66,;21.71,-3.92,;20.68,-4.62,;19.34,-5.38,;22,-5.4,;20.94,1.22,;20.15,2.55,;22.48,1.24,;23.24,2.58,;24.78,2.76,;25.08,4.27,;23.74,5.03,;22.6,3.99,)| Show InChI InChI=1S/C21H17N3O3S/c1-20(18(25)23-19-22-10-11-28-19)12-21(24(26)27)15-8-4-2-6-13(15)17(20)14-7-3-5-9-16(14)21/h2-11,17H,12H2,1H3,(H,22,23,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at GR ligand binding domain expressed in human NP1 cells assessed as glucocorticoid response element transactivation by GAL4 lucifer...				Bioorg Med Chem Lett 19: 2139-43 (2009) Article DOI: 10.1016/j.bmcl.2009.03.006 BindingDB Entry DOI: 10.7270/Q2XW4KRC
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50249108 (15-methyl-8-nitro-N-(1,3-thiazol-2-yl)tetracyclo[6...) Show SMILES CC1(CC2(c3ccccc3C1c1ccccc21)[N+]([O-])=O)C(=O)Nc1nccs1 |TLB:0:1:4.9:11.16,8:9:2.1:11.16,12:11:4.9:2.1,THB:20:1:4.9:11.16,(18.83,.65,;20.18,-.12,;20.69,-.89,;20.69,-3.09,;18.83,-3.61,;17.48,-4.38,;16.14,-3.61,;16.15,-2.06,;17.48,-1.29,;18.79,-2.21,;20.18,-1.54,;21.71,-2.44,;22.99,-1.7,;24.27,-2.43,;24.27,-3.92,;22.99,-4.66,;21.71,-3.92,;20.68,-4.62,;19.34,-5.38,;22,-5.4,;20.94,1.22,;20.15,2.55,;22.48,1.24,;23.24,2.58,;24.78,2.76,;25.08,4.27,;23.74,5.03,;22.6,3.99,)| Show InChI InChI=1S/C21H17N3O3S/c1-20(18(25)23-19-22-10-11-28-19)12-21(24(26)27)15-8-4-2-6-13(15)17(20)14-7-3-5-9-16(14)21/h2-11,17H,12H2,1H3,(H,22,23,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Transrepression activity at GR in IL-1-beta-stimulated human A549 cells assessed as inhibition of NF-kappaB-dependent E-selectin transcription by luc...				Bioorg Med Chem Lett 19: 2139-43 (2009) Article DOI: 10.1016/j.bmcl.2009.03.006 BindingDB Entry DOI: 10.7270/Q2XW4KRC
					More data for this Ligand-Target Pair