BDBM232598 US9346815, 144::US9604984, Example 144

SMILES: CC(=O)N1CCC(CC1)N1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F

InChI Key: InChIKey=WLDUWCHERRGIER-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 = 232598   

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))	BDBM232598 (US9346815, 144 | US9604984, Example 144) Show SMILES CC(=O)N1CCC(CC1)N1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F Show InChI InChI=1S/C29H32ClF2N9O3/c1-17(42)38-11-5-19(6-12-38)39-13-7-20(8-14-39)41-16-22(25(36-41)21-15-18(30)3-4-23(21)44-29(31)32)35-28(43)24-26(33)37-40-10-2-9-34-27(24)40/h2-4,9-10,15-16,19-20,29H,5-8,11-14H2,1H3,(H2,33,37)(H,35,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.170	-13.2	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))	BDBM232598 (US9346815, 144 | US9604984, Example 144) Show SMILES CC(=O)N1CCC(CC1)N1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F Show InChI InChI=1S/C29H32ClF2N9O3/c1-17(42)38-11-5-19(6-12-38)39-13-7-20(8-14-39)41-16-22(25(36-41)21-15-18(30)3-4-23(21)44-29(31)32)35-28(43)24-26(33)37-40-10-2-9-34-27(24)40/h2-4,9-10,15-16,19-20,29H,5-8,11-14H2,1H3,(H2,33,37)(H,35,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.170	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))	BDBM232598 (US9346815, 144 | US9604984, Example 144) Show SMILES CC(=O)N1CCC(CC1)N1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F Show InChI InChI=1S/C29H32ClF2N9O3/c1-17(42)38-11-5-19(6-12-38)39-13-7-20(8-14-39)41-16-22(25(36-41)21-15-18(30)3-4-23(21)44-29(31)32)35-28(43)24-26(33)37-40-10-2-9-34-27(24)40/h2-4,9-10,15-16,19-20,29H,5-8,11-14H2,1H3,(H2,33,37)(H,35,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.540	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))	BDBM232598 (US9346815, 144 | US9604984, Example 144) Show SMILES CC(=O)N1CCC(CC1)N1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F Show InChI InChI=1S/C29H32ClF2N9O3/c1-17(42)38-11-5-19(6-12-38)39-13-7-20(8-14-39)41-16-22(25(36-41)21-15-18(30)3-4-23(21)44-29(31)32)35-28(43)24-26(33)37-40-10-2-9-34-27(24)40/h2-4,9-10,15-16,19-20,29H,5-8,11-14H2,1H3,(H2,33,37)(H,35,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.540	-12.5	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