BDBM50287469 CHEMBL4166984

SMILES: CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccc(CC4CCCCC4)c(c3)C#N)c(c2)C(F)(F)F)cc1

InChI Key: InChIKey=WSGSDRXCOFGDEP-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 = 50287469   

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))	BDBM50287469 (CHEMBL4166984) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccc(CC4CCCCC4)c(c3)C#N)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C31H31F3N2O3S/c1-2-40(38,39)27-13-8-22(9-14-27)17-30(37)36-26-12-15-28(29(19-26)31(32,33)34)24-11-10-23(25(18-24)20-35)16-21-6-4-3-5-7-21/h8-15,18-19,21H,2-7,16-17H2,1H3,(H,36,37)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Antagonist activity at biotinylated RORgammat LBD (unknown origin) assessed as inhibition of N-(2-chloro-6-fluorobenzyl)-N-((2'-methoxy-[1,1'-bipheny...				ACS Med Chem Lett 9: 120-124 (2018) Article DOI: 10.1021/acsmedchemlett.7b00476 BindingDB Entry DOI: 10.7270/Q2Q81GM4
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50287469 (CHEMBL4166984) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccc(CC4CCCCC4)c(c3)C#N)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C31H31F3N2O3S/c1-2-40(38,39)27-13-8-22(9-14-27)17-30(37)36-26-12-15-28(29(19-26)31(32,33)34)24-11-10-23(25(18-24)20-35)16-21-6-4-3-5-7-21/h8-15,18-19,21H,2-7,16-17H2,1H3,(H,36,37)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inverse agonist activity at APC-labeled RORgammat LBD (unknown origin) assessed as inhibition of N-(2-chloro-6-fluorobenzyl)-N-((2'-methoxy-[1,1'-bip...				ACS Med Chem Lett 9: 120-124 (2018) Article DOI: 10.1021/acsmedchemlett.7b00476 BindingDB Entry DOI: 10.7270/Q2Q81GM4
					More data for this Ligand-Target Pair