BDBM232576 US9346815, 122::US9604984, Example 122

SMILES: CN(Cc1cccc(Br)c1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F

InChI Key: InChIKey=YTSUOQJODCDYIB-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 = 232576   

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))	BDBM232576 (US9346815, 122 | US9604984, Example 122) Show SMILES CN(Cc1cccc(Br)c1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F Show InChI InChI=1S/C32H30BrClF2N8O3/c1-41(17-20-4-2-5-21(33)14-20)23-8-12-42(13-9-23)28(45)19-43-18-26(39-31(46)25-16-38-44-11-3-10-37-30(25)44)29(40-43)24-15-22(34)6-7-27(24)47-32(35)36/h2-7,10-11,14-16,18,23,32H,8-9,12-13,17,19H2,1H3,(H,39,46)	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))	BDBM232576 (US9346815, 122 | US9604984, Example 122) Show SMILES CN(Cc1cccc(Br)c1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F Show InChI InChI=1S/C32H30BrClF2N8O3/c1-41(17-20-4-2-5-21(33)14-20)23-8-12-42(13-9-23)28(45)19-43-18-26(39-31(46)25-16-38-44-11-3-10-37-30(25)44)29(40-43)24-15-22(34)6-7-27(24)47-32(35)36/h2-7,10-11,14-16,18,23,32H,8-9,12-13,17,19H2,1H3,(H,39,46)	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))	BDBM232576 (US9346815, 122 | US9604984, Example 122) Show SMILES CN(Cc1cccc(Br)c1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F Show InChI InChI=1S/C32H30BrClF2N8O3/c1-41(17-20-4-2-5-21(33)14-20)23-8-12-42(13-9-23)28(45)19-43-18-26(39-31(46)25-16-38-44-11-3-10-37-30(25)44)29(40-43)24-15-22(34)6-7-27(24)47-32(35)36/h2-7,10-11,14-16,18,23,32H,8-9,12-13,17,19H2,1H3,(H,39,46)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.270	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))	BDBM232576 (US9346815, 122 | US9604984, Example 122) Show SMILES CN(Cc1cccc(Br)c1)C1CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F Show InChI InChI=1S/C32H30BrClF2N8O3/c1-41(17-20-4-2-5-21(33)14-20)23-8-12-42(13-9-23)28(45)19-43-18-26(39-31(46)25-16-38-44-11-3-10-37-30(25)44)29(40-43)24-15-22(34)6-7-27(24)47-32(35)36/h2-7,10-11,14-16,18,23,32H,8-9,12-13,17,19H2,1H3,(H,39,46)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.270	-12.9	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