BDBM50358908 CHEMBL1923584

SMILES: COc1ccccc1-c1ccc2cnc(Nc3ccc(N4CCN(C)CC4)c(Cl)c3)nn12

InChI Key: InChIKey=JQZXQAHNRZXEAP-UHFFFAOYSA-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 = 50358908   

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))	BDBM50358908 (CHEMBL1923584) Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(N4CCN(C)CC4)c(Cl)c3)nn12 Show InChI InChI=1S/C24H25ClN6O/c1-29-11-13-30(14-12-29)22-9-7-17(15-20(22)25)27-24-26-16-18-8-10-21(31(18)28-24)19-5-3-4-6-23(19)32-2/h3-10,15-16H,11-14H2,1-2H3,(H,27,28)	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay				Bioorg Med Chem Lett 21: 7325-30 (2011) Article DOI: 10.1016/j.bmcl.2011.10.032 BindingDB Entry DOI: 10.7270/Q2GT5NM2
					More data for this Ligand-Target Pair