BDBM50044254 CHEMBL3314017

SMILES: CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(c(Cl)c2)-c2ccccc2OC(F)F)cc1

InChI Key: InChIKey=OXZOXZKEQLBDCW-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 = 50044254   

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))	BDBM50044254 (CHEMBL3314017) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(c(Cl)c2)-c2ccccc2OC(F)F)cc1 |(.3,-24.38,;1.64,-23.61,;2.96,-24.38,;3.73,-25.71,;2.19,-25.7,;4.3,-23.61,;5.64,-24.38,;6.98,-23.61,;6.97,-22.06,;8.3,-21.28,;9.64,-22.05,;9.64,-23.59,;10.97,-21.27,;12.31,-22.04,;12.31,-23.58,;13.64,-24.34,;13.65,-25.88,;14.97,-23.57,;14.96,-22.02,;16.29,-21.24,;13.63,-21.26,;16.31,-24.33,;16.31,-25.87,;17.65,-26.63,;18.98,-25.86,;18.97,-24.31,;17.63,-23.55,;17.62,-22.01,;18.95,-21.23,;18.93,-19.69,;20.29,-21.99,;5.64,-21.3,;4.31,-22.07,)| Show InChI InChI=1S/C23H19Cl2F2NO4S/c1-2-33(30,31)16-9-7-14(8-10-16)11-21(29)28-15-12-18(24)22(19(25)13-15)17-5-3-4-6-20(17)32-23(26)27/h3-10,12-13,23H,2,11H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of RORgammat (unknown origin) assessed as inhibition of agonist-induced response by FRET assay				ACS Med Chem Lett 6: 787-92 (2015) BindingDB Entry DOI: 10.7270/Q2XG9SWD
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50044254 (CHEMBL3314017) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(c(Cl)c2)-c2ccccc2OC(F)F)cc1 |(.3,-24.38,;1.64,-23.61,;2.96,-24.38,;3.73,-25.71,;2.19,-25.7,;4.3,-23.61,;5.64,-24.38,;6.98,-23.61,;6.97,-22.06,;8.3,-21.28,;9.64,-22.05,;9.64,-23.59,;10.97,-21.27,;12.31,-22.04,;12.31,-23.58,;13.64,-24.34,;13.65,-25.88,;14.97,-23.57,;14.96,-22.02,;16.29,-21.24,;13.63,-21.26,;16.31,-24.33,;16.31,-25.87,;17.65,-26.63,;18.98,-25.86,;18.97,-24.31,;17.63,-23.55,;17.62,-22.01,;18.95,-21.23,;18.93,-19.69,;20.29,-21.99,;5.64,-21.3,;4.31,-22.07,)| Show InChI InChI=1S/C23H19Cl2F2NO4S/c1-2-33(30,31)16-9-7-14(8-10-16)11-21(29)28-15-12-18(24)22(19(25)13-15)17-5-3-4-6-20(17)32-23(26)27/h3-10,12-13,23H,2,11H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Activity at human RoRc in human Jurkat cells assessed as inhibition of IL-17 promoter				J Med Chem 57: 5871-92 (2014) Article DOI: 10.1021/jm401901d BindingDB Entry DOI: 10.7270/Q2M0473Z
					More data for this Ligand-Target Pair