BDBM179526 US9126976, 57

SMILES: O[C@H](CN1C(CN(C2CCCc3ccccc23)c2ccccc12)c1cccc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=NZYOTYBAGQZEJN-TXDAUAKNSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 179526   

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
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM179526 (US9126976, 57) Show SMILES O[C@H](CN1C(CN(C2CCCc3ccccc23)c2ccccc12)c1cccc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C28H26F6N2O/c29-27(30,31)20-10-5-9-19(15-20)25-16-35(22-14-6-8-18-7-1-2-11-21(18)22)23-12-3-4-13-24(23)36(25)17-26(37)28(32,33)34/h1-5,7,9-13,15,22,25-26,37H,6,8,14,16-17H2/t22?,25?,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description First, low density lipoprotein (LDL) (Meridian) was biotinylated by incubating LDL with biotin for 1 hour on ice, after which it was dialyzed to remo...				US Patent US9126976 (2015) BindingDB Entry DOI: 10.7270/Q25B018M
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