BDBM232603 US9346815, 149::US9604984, Example 149

SMILES: CNC(=O)CCCN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F

InChI Key: InChIKey=DYBLTFRYGJITIL-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 = 232603   

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))	BDBM232603 (US9346815, 149 | US9604984, Example 149) Show SMILES CNC(=O)CCCN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F Show InChI InChI=1S/C27H30ClF2N9O3/c1-32-21(40)4-2-10-37-12-7-17(8-13-37)39-15-19(23(35-39)18-14-16(28)5-6-20(18)42-27(29)30)34-26(41)22-24(31)36-38-11-3-9-33-25(22)38/h3,5-6,9,11,14-15,17,27H,2,4,7-8,10,12-13H2,1H3,(H2,31,36)(H,32,40)(H,34,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	-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))	BDBM232603 (US9346815, 149 | US9604984, Example 149) Show SMILES CNC(=O)CCCN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F Show InChI InChI=1S/C27H30ClF2N9O3/c1-32-21(40)4-2-10-37-12-7-17(8-13-37)39-15-19(23(35-39)18-14-16(28)5-6-20(18)42-27(29)30)34-26(41)22-24(31)36-38-11-3-9-33-25(22)38/h3,5-6,9,11,14-15,17,27H,2,4,7-8,10,12-13H2,1H3,(H2,31,36)(H,32,40)(H,34,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	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))	BDBM232603 (US9346815, 149 | US9604984, Example 149) Show SMILES CNC(=O)CCCN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F Show InChI InChI=1S/C27H30ClF2N9O3/c1-32-21(40)4-2-10-37-12-7-17(8-13-37)39-15-19(23(35-39)18-14-16(28)5-6-20(18)42-27(29)30)34-26(41)22-24(31)36-38-11-3-9-33-25(22)38/h3,5-6,9,11,14-15,17,27H,2,4,7-8,10,12-13H2,1H3,(H2,31,36)(H,32,40)(H,34,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.810	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))	BDBM232603 (US9346815, 149 | US9604984, Example 149) Show SMILES CNC(=O)CCCN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F Show InChI InChI=1S/C27H30ClF2N9O3/c1-32-21(40)4-2-10-37-12-7-17(8-13-37)39-15-19(23(35-39)18-14-16(28)5-6-20(18)42-27(29)30)34-26(41)22-24(31)36-38-11-3-9-33-25(22)38/h3,5-6,9,11,14-15,17,27H,2,4,7-8,10,12-13H2,1H3,(H2,31,36)(H,32,40)(H,34,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.810	-12.3	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