BDBM232630 US9346815, 176::US9604984, Example 176

SMILES: Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCO)CC1

InChI Key: InChIKey=OFBHCLJFUYEAII-UHFFFAOYSA-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 = 232630   

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))	BDBM232630 (US9346815, 176 | US9604984, Example 176) Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCO)CC1 Show InChI InChI=1S/C25H27ClF2N8O3/c26-15-3-4-19(39-25(27)28)17(13-15)21-18(14-36(32-21)16-5-10-34(11-6-16)8-2-12-37)31-24(38)20-22(29)33-35-9-1-7-30-23(20)35/h1,3-4,7,9,13-14,16,25,37H,2,5-6,8,10-12H2,(H2,29,33)(H,31,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.120	-13.4	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))	BDBM232630 (US9346815, 176 | US9604984, Example 176) Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCO)CC1 Show InChI InChI=1S/C25H27ClF2N8O3/c26-15-3-4-19(39-25(27)28)17(13-15)21-18(14-36(32-21)16-5-10-34(11-6-16)8-2-12-37)31-24(38)20-22(29)33-35-9-1-7-30-23(20)35/h1,3-4,7,9,13-14,16,25,37H,2,5-6,8,10-12H2,(H2,29,33)(H,31,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.120	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))	BDBM232630 (US9346815, 176 | US9604984, Example 176) Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCO)CC1 Show InChI InChI=1S/C25H27ClF2N8O3/c26-15-3-4-19(39-25(27)28)17(13-15)21-18(14-36(32-21)16-5-10-34(11-6-16)8-2-12-37)31-24(38)20-22(29)33-35-9-1-7-30-23(20)35/h1,3-4,7,9,13-14,16,25,37H,2,5-6,8,10-12H2,(H2,29,33)(H,31,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.680	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))	BDBM232630 (US9346815, 176 | US9604984, Example 176) Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCO)CC1 Show InChI InChI=1S/C25H27ClF2N8O3/c26-15-3-4-19(39-25(27)28)17(13-15)21-18(14-36(32-21)16-5-10-34(11-6-16)8-2-12-37)31-24(38)20-22(29)33-35-9-1-7-30-23(20)35/h1,3-4,7,9,13-14,16,25,37H,2,5-6,8,10-12H2,(H2,29,33)(H,31,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.680	-12.4	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