BDBM155261 US9006244, E4a::US9814715, Example 4, isomer 1

SMILES: CC(C)[C@H]1N(CCn2c1cc1cc(CO)c(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F

InChI Key: InChIKey=XRWDAQASJVEARP-LJQANCHMSA-N

Data: 4 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 4 hits for monomerid = 155261   

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))	BDBM155261 (US9006244, E4a | US9814715, Example 4, isomer 1) Show SMILES CC(C)[C@H]1N(CCn2c1cc1cc(CO)c(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C21H23F3N4O3S/c1-12(2)19-16-9-13-8-14(11-29)17(32(3,30)31)10-15(13)27(16)6-7-28(19)20-25-5-4-18(26-20)21(22,23)24/h4-5,8-10,12,19,29H,6-7,11H2,1-3H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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 US9006244 (2015) BindingDB Entry DOI: 10.7270/Q2X92911
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM155261 (US9006244, E4a | US9814715, Example 4, isomer 1) Show SMILES CC(C)[C@H]1N(CCn2c1cc1cc(CO)c(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C21H23F3N4O3S/c1-12(2)19-16-9-13-8-14(11-29)17(32(3,30)31)10-15(13)27(16)6-7-28(19)20-25-5-4-18(26-20)21(22,23)24/h4-5,8-10,12,19,29H,6-7,11H2,1-3H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharamceuticals, 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 US9814715 (2017) BindingDB Entry DOI: 10.7270/Q23R0W1B
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM155261 (US9006244, E4a | US9814715, Example 4, isomer 1) Show SMILES CC(C)[C@H]1N(CCn2c1cc1cc(CO)c(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C21H23F3N4O3S/c1-12(2)19-16-9-13-8-14(11-29)17(32(3,30)31)10-15(13)27(16)6-7-28(19)20-25-5-4-18(26-20)21(22,23)24/h4-5,8-10,12,19,29H,6-7,11H2,1-3H3/t19-/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	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharamceuticals, 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 US9814715 (2017) BindingDB Entry DOI: 10.7270/Q23R0W1B
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM155261 (US9006244, E4a | US9814715, Example 4, isomer 1) Show SMILES CC(C)[C@H]1N(CCn2c1cc1cc(CO)c(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C21H23F3N4O3S/c1-12(2)19-16-9-13-8-14(11-29)17(32(3,30)31)10-15(13)27(16)6-7-28(19)20-25-5-4-18(26-20)21(22,23)24/h4-5,8-10,12,19,29H,6-7,11H2,1-3H3/t19-/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	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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 US9006244 (2015) BindingDB Entry DOI: 10.7270/Q2X92911
					More data for this Ligand-Target Pair