BDBM232617 US9346815, 163::US9604984, Example 163

SMILES: Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCN2CCNC2=O)CC1

InChI Key: InChIKey=BWGLFRJYQLOIII-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 = 232617   

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))	BDBM232617 (US9346815, 163 | US9604984, Example 163) Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCN2CCNC2=O)CC1 Show InChI InChI=1S/C28H31ClF2N10O3/c29-17-3-4-21(44-27(30)31)19(15-17)23-20(35-26(42)22-24(32)37-40-11-1-7-33-25(22)40)16-41(36-23)18-5-12-38(13-6-18)9-2-10-39-14-8-34-28(39)43/h1,3-4,7,11,15-16,18,27H,2,5-6,8-10,12-14H2,(H2,32,37)(H,34,43)(H,35,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.190	-13.1	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))	BDBM232617 (US9346815, 163 | US9604984, Example 163) Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCN2CCNC2=O)CC1 Show InChI InChI=1S/C28H31ClF2N10O3/c29-17-3-4-21(44-27(30)31)19(15-17)23-20(35-26(42)22-24(32)37-40-11-1-7-33-25(22)40)16-41(36-23)18-5-12-38(13-6-18)9-2-10-39-14-8-34-28(39)43/h1,3-4,7,11,15-16,18,27H,2,5-6,8-10,12-14H2,(H2,32,37)(H,34,43)(H,35,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.190	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))	BDBM232617 (US9346815, 163 | US9604984, Example 163) Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCN2CCNC2=O)CC1 Show InChI InChI=1S/C28H31ClF2N10O3/c29-17-3-4-21(44-27(30)31)19(15-17)23-20(35-26(42)22-24(32)37-40-11-1-7-33-25(22)40)16-41(36-23)18-5-12-38(13-6-18)9-2-10-39-14-8-34-28(39)43/h1,3-4,7,11,15-16,18,27H,2,5-6,8-10,12-14H2,(H2,32,37)(H,34,43)(H,35,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.690	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))	BDBM232617 (US9346815, 163 | US9604984, Example 163) Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCN2CCNC2=O)CC1 Show InChI InChI=1S/C28H31ClF2N10O3/c29-17-3-4-21(44-27(30)31)19(15-17)23-20(35-26(42)22-24(32)37-40-11-1-7-33-25(22)40)16-41(36-23)18-5-12-38(13-6-18)9-2-10-39-14-8-34-28(39)43/h1,3-4,7,11,15-16,18,27H,2,5-6,8-10,12-14H2,(H2,32,37)(H,34,43)(H,35,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.690	-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