BDBM354693 Preparation of (S)-4-((2,3-dihydroxypropyl)amino)-2-(trifluoromethyl)benzonitrile::US9809583, Example 1

SMILES: OC[C@@H]1CN([C@H](O1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F

InChI Key: InChIKey=ZOAYOQNLQBTGPF-GXSJLCMTSA-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 = 354693   

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
Androgen Receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354693 (Preparation of (S)-4-((2,3-dihydroxypropyl)amino)-...) Show SMILES OC[C@@H]1CN([C@H](O1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C13H10F6N2O2/c14-12(15,16)10-3-8(2-1-7(10)4-20)21-5-9(6-22)23-11(21)13(17,18)19/h1-3,9,11,22H,5-6H2/t9-,11+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	64.4	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
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