BDBM168117 US9073931, E25a

SMILES: CC(C)[C@H]1N(CCn2c1nc1ccc(cc21)S(C)(=O)=O)c1ncc(CO)c(n1)C(F)(F)F

InChI Key: InChIKey=MWSOCMMZIFOCRI-MRXNPFEDSA-N

Data: 2 KI

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 = 168117   

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
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM168117 (US9073931, E25a) Show SMILES CC(C)[C@H]1N(CCn2c1nc1ccc(cc21)S(C)(=O)=O)c1ncc(CO)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C20H22F3N5O3S/c1-11(2)16-18-25-14-5-4-13(32(3,30)31)8-15(14)27(18)6-7-28(16)19-24-9-12(10-29)17(26-19)20(21,22)23/h4-5,8-9,11,16,29H,6-7,10H2,1-3H3/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6	-11.2	n/a	n/a	n/a	n/a	n/a	n/a	25
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US9073931 (2015) BindingDB Entry DOI: 10.7270/Q26W98VC
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM168117 (US9073931, E25a) Show SMILES CC(C)[C@H]1N(CCn2c1nc1ccc(cc21)S(C)(=O)=O)c1ncc(CO)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C20H22F3N5O3S/c1-11(2)16-18-25-14-5-4-13(32(3,30)31)8-15(14)27(18)6-7-28(16)19-24-9-12(10-29)17(26-19)20(21,22)23/h4-5,8-9,11,16,29H,6-7,10H2,1-3H3/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	83	-9.65	n/a	n/a	n/a	n/a	n/a	n/a	25
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US9073931 (2015) BindingDB Entry DOI: 10.7270/Q26W98VC
					More data for this Ligand-Target Pair