BDBM50438671 CHEMBL2414537

SMILES: COc1ccc(cc1)-c1cccn2nc(Nc3cnn(c3)C3CCOCC3)nc12

InChI Key: InChIKey=MNHPVHGSTQRKND-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 50438671   

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))	BDBM50438671 (CHEMBL2414537) Show SMILES COc1ccc(cc1)-c1cccn2nc(Nc3cnn(c3)C3CCOCC3)nc12 Show InChI InChI=1S/C21H22N6O2/c1-28-18-6-4-15(5-7-18)19-3-2-10-26-20(19)24-21(25-26)23-16-13-22-27(14-16)17-8-11-29-12-9-17/h2-7,10,13-14,17H,8-9,11-12H2,1H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				Bioorg Med Chem Lett 23: 5014-21 (2013) Article DOI: 10.1016/j.bmcl.2013.06.008 BindingDB Entry DOI: 10.7270/Q29S1SF2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50438671 (CHEMBL2414537) Show SMILES COc1ccc(cc1)-c1cccn2nc(Nc3cnn(c3)C3CCOCC3)nc12 Show InChI InChI=1S/C21H22N6O2/c1-28-18-6-4-15(5-7-18)19-3-2-10-26-20(19)24-21(25-26)23-16-13-22-27(14-16)17-8-11-29-12-9-17/h2-7,10,13-14,17H,8-9,11-12H2,1H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 in human SET2 cells assessed as reduction of phosphorylated STAT5 level				Bioorg Med Chem Lett 23: 5014-21 (2013) Article DOI: 10.1016/j.bmcl.2013.06.008 BindingDB Entry DOI: 10.7270/Q29S1SF2
					More data for this Ligand-Target Pair