BDBM50210180 CHEMBL3981879

SMILES: OC(=O)CCCOc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3

InChI Key: InChIKey=KKGVVDLVENHUIP-OWOJBTEDSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50210180   

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))	BDBM50210180 (CHEMBL3981879) Show SMILES OC(=O)CCCOc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3 |t:27| Show InChI InChI=1S/C26H27N3O5/c30-25(31)7-4-14-34-24-9-8-22-16-21(24)18-33-13-2-1-12-32-17-19-5-3-6-20(15-19)23-10-11-27-26(28-22)29-23/h1-3,5-6,8-11,15-16H,4,7,12-14,17-18H2,(H,30,31)(H,27,28,29)/b2-1+	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	47	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) preincubated for 20 mins followed by [33P]ATP addition measured after 120 mins by Hotspot assay				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