BDBM494919 US10988463, Example 53::[(1R,5S,6R)-3-{5-cyano-2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl}-3-azabicyclo[3.1.0]hex-6-yl]acetic acid

SMILES: C[C@H]1[C@H](O)CN1c1nc(N2CC3C(CC(O)=O)C3C2)c(C#N)c(n1)C(F)(F)F

InChI Key: InChIKey=HZOIXSCMIOVERO-CFQHMFBZSA-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 = 494919   

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))	BDBM494919 (US10988463, Example 53 | [(1R,5S,6R)-3-{5-cyano-2-...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(N2CC3C(CC(O)=O)C3C2)c(C#N)c(n1)C(F)(F)F Show InChI InChI=1S/C17H18F3N5O3/c1-7-12(26)6-25(7)16-22-14(17(18,19)20)9(3-21)15(23-16)24-4-10-8(2-13(27)28)11(10)5-24/h7-8,10-12,26H,2,4-6H2,1H3,(H,27,28)/t7-,8?,10?,11?,12+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	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)
					More data for this Ligand-Target Pair