BDBM494911 US10988463, Example 44::[(1R,5S,6R)-3-{6-(1,1-difluoroethyl)-5-methyl-2-[(2S)-2-methylazetidin-1-yl]pyrimidin-4-yl}-3-azabicyclo[3.1.0]hex-6-yl]acetic acid

SMILES: C[C@H]1CCN1c1nc(N2CC3C(CC(O)=O)C3C2)c(C)c(n1)C(C)(F)F

InChI Key: InChIKey=SAZZPQRJVMUMRX-KODGCSJUSA-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 = 494911   

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))	BDBM494911 (US10988463, Example 44 | [(1R,5S,6R)-3-{6-(1,1-dif...) Show SMILES C[C@H]1CCN1c1nc(N2CC3C(CC(O)=O)C3C2)c(C)c(n1)C(C)(F)F Show InChI InChI=1S/C18H24F2N4O2/c1-9-4-5-24(9)17-21-15(18(3,19)20)10(2)16(22-17)23-7-12-11(6-14(25)26)13(12)8-23/h9,11-13H,4-8H2,1-3H3,(H,25,26)/t9-,11?,12?,13?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	51.4	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