BDBM50243382 CHEMBL4066154

SMILES: CN(Cc1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1)C(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12

InChI Key: InChIKey=OAJQEPALUDJGLJ-UHFFFAOYSA-N

Data: 1 Kd

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 = 50243382   

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))	BDBM50243382 (CHEMBL4066154) Show SMILES CN(Cc1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1)C(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12 Show InChI InChI=1S/C38H27F2N7O6S/c1-46(18-19-5-7-20(8-6-19)42-36-44-35(41)47(45-36)33(50)32-28(39)3-2-4-29(32)40)37(54)43-21-9-12-25-24(15-21)34(51)53-38(25)26-13-10-22(48)16-30(26)52-31-17-23(49)11-14-27(31)38/h2-17,48-49H,18H2,1H3,(H,43,54)(H3,41,42,44,45)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	205	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Binding affinity to wild type JAK2 JH2 domain (unknown origin) by competitive fluorescence polarization assay				ACS Med Chem Lett 8: 614-617 (2017) Article DOI: 10.1021/acsmedchemlett.7b00154 BindingDB Entry DOI: 10.7270/Q2F76FZ8
					More data for this Ligand-Target Pair