BDBM50287464 CHEMBL4164766

SMILES: CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)C)c(c2)C(F)(F)F)cc1

InChI Key: InChIKey=ITFCALOOWSZWQA-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 = 50287464   

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))	BDBM50287464 (CHEMBL4164766) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)C)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H22F3NO3S/c1-4-28(26,27)16-8-5-14(6-9-16)11-19(25)24-15-7-10-17(13(2)3)18(12-15)20(21,22)23/h5-10,12-13H,4,11H2,1-3H3,(H,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	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
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50287464 (CHEMBL4164766) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)C)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H22F3NO3S/c1-4-28(26,27)16-8-5-14(6-9-16)11-19(25)24-15-7-10-17(13(2)3)18(12-15)20(21,22)23/h5-10,12-13H,4,11H2,1-3H3,(H,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inverse agonist activity at biotinylated RORgammat LBD (unknown origin) assessed as inhibition of N-(2-chloro-6-fluorobenzyl)-N-((2'-methoxy-[1,1'-bi...				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