BDBM232730 US9346815, 276::US9604984, Example 276

SMILES: OC1(CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)c1ccncc1

InChI Key: InChIKey=LBVSGABQYDBVGU-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 = 232730   

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))	BDBM232730 (US9346815, 276 | US9604984, Example 276) Show SMILES OC1(CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)c1ccncc1 Show InChI InChI=1S/C29H25ClF2N8O4/c30-19-2-3-23(44-28(31)32)20(14-19)25-22(36-27(42)21-15-35-40-11-1-8-34-26(21)40)16-39(37-25)17-24(41)38-12-6-29(43,7-13-38)18-4-9-33-10-5-18/h1-5,8-11,14-16,28,43H,6-7,12-13,17H2,(H,36,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.180	-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))	BDBM232730 (US9346815, 276 | US9604984, Example 276) Show SMILES OC1(CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)c1ccncc1 Show InChI InChI=1S/C29H25ClF2N8O4/c30-19-2-3-23(44-28(31)32)20(14-19)25-22(36-27(42)21-15-35-40-11-1-8-34-26(21)40)16-39(37-25)17-24(41)38-12-6-29(43,7-13-38)18-4-9-33-10-5-18/h1-5,8-11,14-16,28,43H,6-7,12-13,17H2,(H,36,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.180	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))	BDBM232730 (US9346815, 276 | US9604984, Example 276) Show SMILES OC1(CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)c1ccncc1 Show InChI InChI=1S/C29H25ClF2N8O4/c30-19-2-3-23(44-28(31)32)20(14-19)25-22(36-27(42)21-15-35-40-11-1-8-34-26(21)40)16-39(37-25)17-24(41)38-12-6-29(43,7-13-38)18-4-9-33-10-5-18/h1-5,8-11,14-16,28,43H,6-7,12-13,17H2,(H,36,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.230	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))	BDBM232730 (US9346815, 276 | US9604984, Example 276) Show SMILES OC1(CCN(CC1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F)c1ccncc1 Show InChI InChI=1S/C29H25ClF2N8O4/c30-19-2-3-23(44-28(31)32)20(14-19)25-22(36-27(42)21-15-35-40-11-1-8-34-26(21)40)16-39(37-25)17-24(41)38-12-6-29(43,7-13-38)18-4-9-33-10-5-18/h1-5,8-11,14-16,28,43H,6-7,12-13,17H2,(H,36,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.230	-13.0	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