BDBM168098 US9073931, E15a::US9073931, E29a

SMILES: CC(C)[C@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1ncc(C(N)=O)c(n1)C(F)(F)F

InChI Key: InChIKey=XZVKGPBWXMHCFG-MRXNPFEDSA-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 = 168098   

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))	BDBM168098 (US9073931, E15a | US9073931, E29a) Show SMILES CC(C)[C@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1ncc(C(N)=O)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C21H23F3N6O4S/c1-10(2)16-19-27-13-6-11(9-31)15(35(3,33)34)7-14(13)29(19)4-5-30(16)20-26-8-12(18(25)32)17(28-20)21(22,23)24/h6-8,10,16,31H,4-5,9H2,1-3H3,(H2,25,32)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	50	-9.95	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-beta (Homo sapiens (Human))	BDBM168098 (US9073931, E15a | US9073931, E29a) Show SMILES CC(C)[C@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1ncc(C(N)=O)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C21H23F3N6O4S/c1-10(2)16-19-27-13-6-11(9-31)15(35(3,33)34)7-14(13)29(19)4-5-30(16)20-26-8-12(18(25)32)17(28-20)21(22,23)24/h6-8,10,16,31H,4-5,9H2,1-3H3,(H2,25,32)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	240	-9.02	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))	BDBM168098 (US9073931, E15a | US9073931, E29a) Show SMILES CC(C)[C@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1ncc(C(N)=O)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C21H23F3N6O4S/c1-10(2)16-19-27-13-6-11(9-31)15(35(3,33)34)7-14(13)29(19)4-5-30(16)20-26-8-12(18(25)32)17(28-20)21(22,23)24/h6-8,10,16,31H,4-5,9H2,1-3H3,(H2,25,32)/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	987	-8.19	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))	BDBM168098 (US9073931, E15a | US9073931, E29a) Show SMILES CC(C)[C@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1ncc(C(N)=O)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C21H23F3N6O4S/c1-10(2)16-19-27-13-6-11(9-31)15(35(3,33)34)7-14(13)29(19)4-5-30(16)20-26-8-12(18(25)32)17(28-20)21(22,23)24/h6-8,10,16,31H,4-5,9H2,1-3H3,(H2,25,32)/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	>3.33E+3	>-7.47	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