BDBM50358902 CHEMBL1923578

SMILES: C[C@H](O)CN1CCN(CC1)c1ccc(Nc2ncc3ccc(-c4ccccc4N(C)S(C)(=O)=O)n3n2)cc1F

InChI Key: InChIKey=SZRIHXIBDWPIKZ-IBGZPJMESA-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 = 50358902   

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))	BDBM50358902 (CHEMBL1923578) Show SMILES C[C@H](O)CN1CCN(CC1)c1ccc(Nc2ncc3ccc(-c4ccccc4N(C)S(C)(=O)=O)n3n2)cc1F |r| Show InChI InChI=1S/C27H32FN7O3S/c1-19(36)18-33-12-14-34(15-13-33)26-10-8-20(16-23(26)28)30-27-29-17-21-9-11-25(35(21)31-27)22-6-4-5-7-24(22)32(2)39(3,37)38/h4-11,16-17,19,36H,12-15,18H2,1-3H3,(H,30,31)/t19-/m0/s1	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	1	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
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