BDBM50461081 CHEMBL4228045::US10457637, Compound 42

SMILES: CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(OC2CCOCC2)c(c1)S(C)(=N)=O

InChI Key: InChIKey=YOGVHVYCSSTWGE-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50461081   

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
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50461081 (CHEMBL4228045 | US10457637, Compound 42) Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(OC2CCOCC2)c(c1)S(C)(=N)=O Show InChI InChI=1S/C24H34N2O5S2/c1-5-19-6-8-20(9-7-19)26(17-18(2)3)33(28,29)22-10-11-23(24(16-22)32(4,25)27)31-21-12-14-30-15-13-21/h6-11,16,18,21,25H,5,12-15,17H2,1-4H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The RORγ transactivation model was developed from the line HG5LN, which is a HeLa line that stably expresses a luciferase reporter gene controll...				US Patent US10457637 (2019) BindingDB Entry DOI: 10.7270/Q2WS8WMG
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50461081 (CHEMBL4228045 | US10457637, Compound 42) Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(OC2CCOCC2)c(c1)S(C)(=N)=O Show InChI InChI=1S/C24H34N2O5S2/c1-5-19-6-8-20(9-7-19)26(17-18(2)3)33(28,29)22-10-11-23(24(16-22)32(4,25)27)31-21-12-14-30-15-13-21/h6-11,16,18,21,25H,5,12-15,17H2,1-4H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nestle Skin Health Curated by ChEMBL					Assay Description Inverse agonist activity at RORgamma (unknown origin) expressed in human HeLa-derived HG5LN cells transfected with the GAL4 DNA-binding domain fused ...				Bioorg Med Chem Lett 28: 1269-1273 (2018) Article DOI: 10.1016/j.bmcl.2018.03.041 BindingDB Entry DOI: 10.7270/Q2WD437Q
					More data for this Ligand-Target Pair