BDBM335511 US9732097, Example 20::{1-(cis-4-{[4-(1- hydroxy-1- methylethyl)-6- (trifluoromethyl) pyridin-2- yl]oxy}cyclohexyl)-3- [4-(7H-pyrrolo[2,3- d]pyrimidin-4-yl)-1H- pyrazol-1-yl]azetidin- 3-yl}acetonitrile

SMILES: CC(C)(O)c1cc(O[C@H]2CC[C@H](CC2)N2C[N](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F

InChI Key:

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 = 335511   

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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM335511 (US9732097, Example 20 | {1-(cis-4-{[4-(1- hydroxy-...) Show SMILES CC(C)(O)c1cc(O[C@H]2CC[C@H](CC2)N2C[N](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F |r,wU:11.14,8.7,(8.63,2.85,;7.3,3.62,;7.3,5.16,;8.63,4.39,;5.96,2.85,;4.87,3.94,;3.39,3.54,;2.3,4.63,;.81,4.23,;.41,2.75,;-1.08,2.35,;-2.17,3.44,;-1.77,4.92,;-.28,5.32,;-3.65,3.04,;-4.99,3.81,;-5.76,2.48,;-7.24,2.87,;-7.64,4.36,;-8.04,5.85,;-4.42,1.71,;-6.53,1.14,;-6.05,-.32,;-7.3,-1.23,;-8.54,-.32,;-8.07,1.14,;-7.3,-2.77,;-8.63,-3.54,;-8.63,-5.08,;-7.3,-5.85,;-5.96,-5.08,;-4.5,-5.55,;-3.59,-4.31,;-4.5,-3.06,;-5.96,-3.54,;2.99,2.06,;4.08,.97,;5.56,1.37,;3.68,-.52,;2.19,-.92,;4.77,-1.61,;3.28,-2.01,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation US Patent					Assay Description The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 μL. Inhibitors were first ...				US Patent US9732097 (2017) BindingDB Entry DOI: 10.7270/Q2DF6TBH
					More data for this Ligand-Target Pair