BDBM494892 US10988463, Example 21::[(1R,5S,6R)-3-{3-chloro-5-cyano-4-(difluoromethyl)-6-[(2S,3R)-3-hydroxy-2,3-dimethylazetidin-1-yl]pyridin-2-yl}-3-azabicyclo[3.1.0]hex-6-yl]acetic acid

SMILES: C[C@@H]1N(C[C@@]1(C)O)c1nc(N2CC3C(CC(O)=O)C3C2)c(Cl)c(C(F)F)c1C#N

InChI Key: InChIKey=NQEJWPRACJNXNT-ZONUPTIBSA-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 = 494892   

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))	BDBM494892 (US10988463, Example 21 | [(1R,5S,6R)-3-{3-chloro-5...) Show SMILES C[C@@H]1N(C[C@@]1(C)O)c1nc(N2CC3C(CC(O)=O)C3C2)c(Cl)c(C(F)F)c1C#N Show InChI InChI=1S/C19H21ClF2N4O3/c1-8-19(2,29)7-26(8)17-10(4-23)14(16(21)22)15(20)18(24-17)25-5-11-9(3-13(27)28)12(11)6-25/h8-9,11-12,16,29H,3,5-7H2,1-2H3,(H,27,28)/t8-,9?,11?,12?,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.70	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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