BDBM232511 US9346815, 57::US9604984, Example 57

SMILES: Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2C[C@@H]3CN(CC4CC4)C[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F

InChI Key: InChIKey=KZRSAVXBPQERQP-HDICACEKSA-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 = 232511   

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))	BDBM232511 (US9346815, 57 | US9604984, Example 57) Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2C[C@@H]3CN(CC4CC4)C[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F |r| Show InChI InChI=1S/C29H30ClF2N9O3/c30-19-4-5-22(44-29(31)32)20(8-19)25-21(35-28(43)24-26(33)37-41-7-1-6-34-27(24)41)14-40(36-25)15-23(42)39-12-17-10-38(9-16-2-3-16)11-18(17)13-39/h1,4-8,14,16-18,29H,2-3,9-13,15H2,(H2,33,37)(H,35,43)/t17-,18+	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))	BDBM232511 (US9346815, 57 | US9604984, Example 57) Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2C[C@@H]3CN(CC4CC4)C[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F |r| Show InChI InChI=1S/C29H30ClF2N9O3/c30-19-4-5-22(44-29(31)32)20(8-19)25-21(35-28(43)24-26(33)37-41-7-1-6-34-27(24)41)14-40(36-25)15-23(42)39-12-17-10-38(9-16-2-3-16)11-18(17)13-39/h1,4-8,14,16-18,29H,2-3,9-13,15H2,(H2,33,37)(H,35,43)/t17-,18+	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))	BDBM232511 (US9346815, 57 | US9604984, Example 57) Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2C[C@@H]3CN(CC4CC4)C[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F |r| Show InChI InChI=1S/C29H30ClF2N9O3/c30-19-4-5-22(44-29(31)32)20(8-19)25-21(35-28(43)24-26(33)37-41-7-1-6-34-27(24)41)14-40(36-25)15-23(42)39-12-17-10-38(9-16-2-3-16)11-18(17)13-39/h1,4-8,14,16-18,29H,2-3,9-13,15H2,(H2,33,37)(H,35,43)/t17-,18+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.590	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))	BDBM232511 (US9346815, 57 | US9604984, Example 57) Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2C[C@@H]3CN(CC4CC4)C[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F |r| Show InChI InChI=1S/C29H30ClF2N9O3/c30-19-4-5-22(44-29(31)32)20(8-19)25-21(35-28(43)24-26(33)37-41-7-1-6-34-27(24)41)14-40(36-25)15-23(42)39-12-17-10-38(9-16-2-3-16)11-18(17)13-39/h1,4-8,14,16-18,29H,2-3,9-13,15H2,(H2,33,37)(H,35,43)/t17-,18+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.590	-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