BDBM494913 US10988463, Example 46::{(1R,5S,6s)-3-[6-(azetidin-1-yl)-5-cyano-4-(trifluoromethyl)pyridin-2-yl]-3-azabicyclo[3.1.0]hex-6-yl}acetic acid

SMILES: OC(=O)CC1C2CN(CC12)c1cc(c(C#N)c(n1)N1CCC1)C(F)(F)F

InChI Key: InChIKey=NXOLFKWJZGICIS-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 494913   

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
Ketohexokinase (Homo sapiens (Human))	BDBM494913 (US10988463, Example 46 | {(1R,5S,6s)-3-[6-(azetidi...) Show SMILES OC(=O)CC1C2CN(CC12)c1cc(c(C#N)c(n1)N1CCC1)C(F)(F)F Show InChI InChI=1S/C17H17F3N4O2/c18-17(19,20)13-5-14(22-16(10(13)6-21)23-2-1-3-23)24-7-11-9(4-15(25)26)12(11)8-24/h5,9,11-12H,1-4,7-8H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Assay A, a 384-well format on a Corning 3653 assay plate is used, and monitored by UV-vis spectroscopy in continuous mode at rt. Compounds were prepa...				US Patent US10988463 (2021)
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