BDBM50210189 CHEMBL3911929

SMILES: OC(=O)CCCCOc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3

InChI Key: InChIKey=JCGOSYAKQMGFKV-ONEGZZNKSA-N

Data: 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 1 hit for monomerid = 50210189   

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))	BDBM50210189 (CHEMBL3911929) Show SMILES OC(=O)CCCCOc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3 |t:28| Show InChI InChI=1S/C27H29N3O5/c31-26(32)8-1-2-15-35-25-10-9-23-17-22(25)19-34-14-4-3-13-33-18-20-6-5-7-21(16-20)24-11-12-28-27(29-23)30-24/h3-7,9-12,16-17H,1-2,8,13-15,18-19H2,(H,31,32)(H,28,29,30)/b4-3+	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	<39	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				J Med Chem 59: 8233-62 (2016) Article DOI: 10.1021/acs.jmedchem.6b00157 BindingDB Entry DOI: 10.7270/Q2W95C5G
					More data for this Ligand-Target Pair