BDBM50035890 CHEMBL3361033

SMILES: CC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)N1CCN(CC1)C(C)=O

InChI Key: InChIKey=HREGAPCTZYCMHL-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 50035890   

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))	BDBM50035890 (CHEMBL3361033) Show SMILES CC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C23H31N3O3S/c1-19(2)17-26(18-21-7-5-4-6-8-21)30(28,29)23-11-9-22(10-12-23)25-15-13-24(14-16-25)20(3)27/h4-12,19H,13-18H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]25-hydroxycholesterol from human RORc-LBD expressed in bacterial expression system after 3 hrs by scintillation counting analysis				Bioorg Med Chem Lett 24: 5769-76 (2014) Article DOI: 10.1016/j.bmcl.2014.10.037 BindingDB Entry DOI: 10.7270/Q2125V8F
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50035890 (CHEMBL3361033) Show SMILES CC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C23H31N3O3S/c1-19(2)17-26(18-21-7-5-4-6-8-21)30(28,29)23-11-9-22(10-12-23)25-15-13-24(14-16-25)20(3)27/h4-12,19H,13-18H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain expressed in bacterial expression system assessed as inhibition ...				Bioorg Med Chem Lett 24: 5769-76 (2014) Article DOI: 10.1016/j.bmcl.2014.10.037 BindingDB Entry DOI: 10.7270/Q2125V8F
					More data for this Ligand-Target Pair