BDBM232600 US9346815, 146::US9604984, Example 146

SMILES: Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCN2CCCC2=O)CC1

InChI Key: InChIKey=ZSEHWWSPEHLJHF-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 = 232600   

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))	BDBM232600 (US9346815, 146 | US9604984, Example 146) Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCN2CCCC2=O)CC1 Show InChI InChI=1S/C29H32ClF2N9O3/c30-18-5-6-22(44-29(31)32)20(16-18)25-21(35-28(43)24-26(33)37-40-13-2-9-34-27(24)40)17-41(36-25)19-7-14-38(15-8-19)10-3-12-39-11-1-4-23(39)42/h2,5-6,9,13,16-17,19,29H,1,3-4,7-8,10-12,14-15H2,(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	0.130	-13.3	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))	BDBM232600 (US9346815, 146 | US9604984, Example 146) Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCN2CCCC2=O)CC1 Show InChI InChI=1S/C29H32ClF2N9O3/c30-18-5-6-22(44-29(31)32)20(16-18)25-21(35-28(43)24-26(33)37-40-13-2-9-34-27(24)40)17-41(36-25)19-7-14-38(15-8-19)10-3-12-39-11-1-4-23(39)42/h2,5-6,9,13,16-17,19,29H,1,3-4,7-8,10-12,14-15H2,(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	0.130	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))	BDBM232600 (US9346815, 146 | US9604984, Example 146) Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCN2CCCC2=O)CC1 Show InChI InChI=1S/C29H32ClF2N9O3/c30-18-5-6-22(44-29(31)32)20(16-18)25-21(35-28(43)24-26(33)37-40-13-2-9-34-27(24)40)17-41(36-25)19-7-14-38(15-8-19)10-3-12-39-11-1-4-23(39)42/h2,5-6,9,13,16-17,19,29H,1,3-4,7-8,10-12,14-15H2,(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	0.450	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))	BDBM232600 (US9346815, 146 | US9604984, Example 146) Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCN2CCCC2=O)CC1 Show InChI InChI=1S/C29H32ClF2N9O3/c30-18-5-6-22(44-29(31)32)20(16-18)25-21(35-28(43)24-26(33)37-40-13-2-9-34-27(24)40)17-41(36-25)19-7-14-38(15-8-19)10-3-12-39-11-1-4-23(39)42/h2,5-6,9,13,16-17,19,29H,1,3-4,7-8,10-12,14-15H2,(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	0.450	-12.6	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