BDBM50446988 CHEMBL3116060

SMILES: COc1ccc2c(Nc3cn(C)cn3)nc(NC(C)c3ncc(F)cn3)nc2c1

InChI Key: InChIKey=XIUNXTXIMGZQFU-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50446988   

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))	BDBM50446988 (CHEMBL3116060) Show SMILES COc1ccc2c(Nc3cn(C)cn3)nc(NC(C)c3ncc(F)cn3)nc2c1 Show InChI InChI=1S/C19H19FN8O/c1-11(17-21-7-12(20)8-22-17)24-19-25-15-6-13(29-3)4-5-14(15)18(27-19)26-16-9-28(2)10-23-16/h4-11H,1-3H3,(H2,24,25,26,27)	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	24	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Jak2 (unknown origin)				J Med Chem 57: 144-58 (2014) Article DOI: 10.1021/jm401546n BindingDB Entry DOI: 10.7270/Q2CR5VTM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50446988 (CHEMBL3116060) Show SMILES COc1ccc2c(Nc3cn(C)cn3)nc(NC(C)c3ncc(F)cn3)nc2c1 Show InChI InChI=1S/C19H19FN8O/c1-11(17-21-7-12(20)8-22-17)24-19-25-15-6-13(29-3)4-5-14(15)18(27-19)26-16-9-28(2)10-23-16/h4-11H,1-3H3,(H2,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Jak3 (unknown origin)				J Med Chem 57: 144-58 (2014) Article DOI: 10.1021/jm401546n BindingDB Entry DOI: 10.7270/Q2CR5VTM
					More data for this Ligand-Target Pair