BDBM232619 US9346815, 165::US9604984, Example 165

SMILES: NC(=O)CCN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F

InChI Key: InChIKey=ZSRUMJWLDJKRGD-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 = 232619   

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))	BDBM232619 (US9346815, 165 | US9604984, Example 165) Show SMILES NC(=O)CCN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F Show InChI InChI=1S/C25H26ClF2N9O3/c26-14-2-3-18(40-25(27)28)16(12-14)21-17(32-24(39)20-22(30)34-36-8-1-7-31-23(20)36)13-37(33-21)15-4-9-35(10-5-15)11-6-19(29)38/h1-3,7-8,12-13,15,25H,4-6,9-11H2,(H2,29,38)(H2,30,34)(H,32,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.150	-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))	BDBM232619 (US9346815, 165 | US9604984, Example 165) Show SMILES NC(=O)CCN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F Show InChI InChI=1S/C25H26ClF2N9O3/c26-14-2-3-18(40-25(27)28)16(12-14)21-17(32-24(39)20-22(30)34-36-8-1-7-31-23(20)36)13-37(33-21)15-4-9-35(10-5-15)11-6-19(29)38/h1-3,7-8,12-13,15,25H,4-6,9-11H2,(H2,29,38)(H2,30,34)(H,32,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.150	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))	BDBM232619 (US9346815, 165 | US9604984, Example 165) Show SMILES NC(=O)CCN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F Show InChI InChI=1S/C25H26ClF2N9O3/c26-14-2-3-18(40-25(27)28)16(12-14)21-17(32-24(39)20-22(30)34-36-8-1-7-31-23(20)36)13-37(33-21)15-4-9-35(10-5-15)11-6-19(29)38/h1-3,7-8,12-13,15,25H,4-6,9-11H2,(H2,29,38)(H2,30,34)(H,32,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.380	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))	BDBM232619 (US9346815, 165 | US9604984, Example 165) Show SMILES NC(=O)CCN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F Show InChI InChI=1S/C25H26ClF2N9O3/c26-14-2-3-18(40-25(27)28)16(12-14)21-17(32-24(39)20-22(30)34-36-8-1-7-31-23(20)36)13-37(33-21)15-4-9-35(10-5-15)11-6-19(29)38/h1-3,7-8,12-13,15,25H,4-6,9-11H2,(H2,29,38)(H2,30,34)(H,32,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.380	-12.7	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