BDBM304509 (R)-2-(2-(4-(4-(hydroxymethyl)-3-(methylsulfonyl)phenyl)-2-isopropylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl)-2-methylpropanenitrile::US10144715, Compound 25-1

SMILES: CC(C)[C@@H]1CN(CCN1c1ncc(c(n1)C(F)(F)F)C(C)(C)C#N)c1ccc(CCO)c(c1)S(C)(=O)=O

InChI Key: InChIKey=NEGSIYPKPKVQAA-FQEVSTJZSA-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 = 304509   

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))	BDBM304509 ((R)-2-(2-(4-(4-(hydroxymethyl)-3-(methylsulfonyl)p...) Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(c(n1)C(F)(F)F)C(C)(C)C#N)c1ccc(CCO)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C25H32F3N5O3S/c1-16(2)20-14-32(18-7-6-17(8-11-34)21(12-18)37(5,35)36)9-10-33(20)23-30-13-19(24(3,4)15-29)22(31-23)25(26,27)28/h6-7,12-13,16,20,34H,8-11,14H2,1-5H3/t20-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM304509 ((R)-2-(2-(4-(4-(hydroxymethyl)-3-(methylsulfonyl)p...) Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(c(n1)C(F)(F)F)C(C)(C)C#N)c1ccc(CCO)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C25H32F3N5O3S/c1-16(2)20-14-32(18-7-6-17(8-11-34)21(12-18)37(5,35)36)9-10-33(20)23-30-13-19(24(3,4)15-29)22(31-23)25(26,27)28/h6-7,12-13,16,20,34H,8-11,14H2,1-5H3/t20-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	32	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 US10144715 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NFD
					More data for this Ligand-Target Pair