BDBM232751 US9346815, 297::US9604984, Example 297

SMILES: N[C@H]1C[C@H](C1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F

InChI Key: InChIKey=GLQQQPJQXUIPOL-TXEJJXNPSA-N

Data: 4 KI

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 4 hits for monomerid = 232751   

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 JAK2 (Homo sapiens (Human))	BDBM232751 (US9346815, 297 | US9604984, Example 297) Show SMILES N[C@H]1C[C@H](C1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r,wU:1.0,3.5,(-5.77,-4.78,;-4.44,-4.01,;-4.04,-2.52,;-2.55,-2.92,;-2.95,-4.41,;-1.22,-2.15,;-1.22,-.61,;.25,-.13,;.65,1.35,;-.44,2.44,;-1.93,2.04,;-.05,3.93,;-.95,5.18,;-2.49,5.18,;-.05,6.42,;1.42,5.95,;2.75,6.72,;4.09,5.95,;4.09,4.41,;2.75,3.64,;1.42,4.41,;1.15,-1.38,;.25,-2.63,;2.69,-1.38,;3.46,-.05,;5,-.05,;5.77,1.29,;5.77,-1.38,;5,-2.71,;3.46,-2.71,;2.69,-4.05,;3.46,-5.38,;2.69,-6.72,;5,-5.38,)| Show InChI InChI=1S/C21H19ClF2N8O2/c22-10-2-3-15(34-21(23)24)13(6-10)17-14(9-32(29-17)12-7-11(25)8-12)28-20(33)16-18(26)30-31-5-1-4-27-19(16)31/h1-6,9,11-12,21H,7-8,25H2,(H2,26,30)(H,28,33)/t11-,12+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0700	-13.7	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9346815 (2016) BindingDB Entry DOI: 10.7270/Q2NS0SRT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM232751 (US9346815, 297 | US9604984, Example 297) Show SMILES N[C@H]1C[C@H](C1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r,wU:1.0,3.5,(-5.77,-4.78,;-4.44,-4.01,;-4.04,-2.52,;-2.55,-2.92,;-2.95,-4.41,;-1.22,-2.15,;-1.22,-.61,;.25,-.13,;.65,1.35,;-.44,2.44,;-1.93,2.04,;-.05,3.93,;-.95,5.18,;-2.49,5.18,;-.05,6.42,;1.42,5.95,;2.75,6.72,;4.09,5.95,;4.09,4.41,;2.75,3.64,;1.42,4.41,;1.15,-1.38,;.25,-2.63,;2.69,-1.38,;3.46,-.05,;5,-.05,;5.77,1.29,;5.77,-1.38,;5,-2.71,;3.46,-2.71,;2.69,-4.05,;3.46,-5.38,;2.69,-6.72,;5,-5.38,)| Show InChI InChI=1S/C21H19ClF2N8O2/c22-10-2-3-15(34-21(23)24)13(6-10)17-14(9-32(29-17)12-7-11(25)8-12)28-20(33)16-18(26)30-31-5-1-4-27-19(16)31/h1-6,9,11-12,21H,7-8,25H2,(H2,26,30)(H,28,33)/t11-,12+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9604984 (2017) BindingDB Entry DOI: 10.7270/Q26D5W25
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM232751 (US9346815, 297 | US9604984, Example 297) Show SMILES N[C@H]1C[C@H](C1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r,wU:1.0,3.5,(-5.77,-4.78,;-4.44,-4.01,;-4.04,-2.52,;-2.55,-2.92,;-2.95,-4.41,;-1.22,-2.15,;-1.22,-.61,;.25,-.13,;.65,1.35,;-.44,2.44,;-1.93,2.04,;-.05,3.93,;-.95,5.18,;-2.49,5.18,;-.05,6.42,;1.42,5.95,;2.75,6.72,;4.09,5.95,;4.09,4.41,;2.75,3.64,;1.42,4.41,;1.15,-1.38,;.25,-2.63,;2.69,-1.38,;3.46,-.05,;5,-.05,;5.77,1.29,;5.77,-1.38,;5,-2.71,;3.46,-2.71,;2.69,-4.05,;3.46,-5.38,;2.69,-6.72,;5,-5.38,)| Show InChI InChI=1S/C21H19ClF2N8O2/c22-10-2-3-15(34-21(23)24)13(6-10)17-14(9-32(29-17)12-7-11(25)8-12)28-20(33)16-18(26)30-31-5-1-4-27-19(16)31/h1-6,9,11-12,21H,7-8,25H2,(H2,26,30)(H,28,33)/t11-,12+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9604984 (2017) BindingDB Entry DOI: 10.7270/Q26D5W25
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM232751 (US9346815, 297 | US9604984, Example 297) Show SMILES N[C@H]1C[C@H](C1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F |r,wU:1.0,3.5,(-5.77,-4.78,;-4.44,-4.01,;-4.04,-2.52,;-2.55,-2.92,;-2.95,-4.41,;-1.22,-2.15,;-1.22,-.61,;.25,-.13,;.65,1.35,;-.44,2.44,;-1.93,2.04,;-.05,3.93,;-.95,5.18,;-2.49,5.18,;-.05,6.42,;1.42,5.95,;2.75,6.72,;4.09,5.95,;4.09,4.41,;2.75,3.64,;1.42,4.41,;1.15,-1.38,;.25,-2.63,;2.69,-1.38,;3.46,-.05,;5,-.05,;5.77,1.29,;5.77,-1.38,;5,-2.71,;3.46,-2.71,;2.69,-4.05,;3.46,-5.38,;2.69,-6.72,;5,-5.38,)| Show InChI InChI=1S/C21H19ClF2N8O2/c22-10-2-3-15(34-21(23)24)13(6-10)17-14(9-32(29-17)12-7-11(25)8-12)28-20(33)16-18(26)30-31-5-1-4-27-19(16)31/h1-6,9,11-12,21H,7-8,25H2,(H2,26,30)(H,28,33)/t11-,12+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.320	-12.8	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9346815 (2016) BindingDB Entry DOI: 10.7270/Q2NS0SRT
					More data for this Ligand-Target Pair