BDBM50035919 CHEMBL3361062

SMILES: CC(C)CN(c1ccccn1)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cc1

InChI Key: InChIKey=ZKBCHSJYWPOSGZ-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 = 50035919   

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))	BDBM50035919 (CHEMBL3361062) Show SMILES CC(C)CN(c1ccccn1)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C21H29N3O5S2/c1-17(2)16-24(21-6-4-5-13-22-21)31(27,28)20-9-7-18(8-10-20)29-19-11-14-23(15-12-19)30(3,25)26/h4-10,13,17,19H,11-12,14-16H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	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))	BDBM50035919 (CHEMBL3361062) Show SMILES CC(C)CN(c1ccccn1)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C21H29N3O5S2/c1-17(2)16-24(21-6-4-5-13-22-21)31(27,28)20-9-7-18(8-10-20)29-19-11-14-23(15-12-19)30(3,25)26/h4-10,13,17,19H,11-12,14-16H2,1-3H3	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	240	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