BDBM50438681 CHEMBL2414553

SMILES: COc1ccc(cc1)-c1cccc2nc(Nc3ccnc(C)c3)nn12

InChI Key: InChIKey=GCLMTOAQWBBGCE-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 50438681   

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))	BDBM50438681 (CHEMBL2414553) Show SMILES COc1ccc(cc1)-c1cccc2nc(Nc3ccnc(C)c3)nn12 Show InChI InChI=1S/C19H17N5O/c1-13-12-15(10-11-20-13)21-19-22-18-5-3-4-17(24(18)23-19)14-6-8-16(25-2)9-7-14/h3-12H,1-2H3,(H,20,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				Bioorg Med Chem Lett 23: 5014-21 (2013) Article DOI: 10.1016/j.bmcl.2013.06.008 BindingDB Entry DOI: 10.7270/Q29S1SF2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50438681 (CHEMBL2414553) Show SMILES COc1ccc(cc1)-c1cccc2nc(Nc3ccnc(C)c3)nn12 Show InChI InChI=1S/C19H17N5O/c1-13-12-15(10-11-20-13)21-19-22-18-5-3-4-17(24(18)23-19)14-6-8-16(25-2)9-7-14/h3-12H,1-2H3,(H,20,21,23)	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	174	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 in human SET2 cells assessed as reduction of phosphorylated STAT5 level				Bioorg Med Chem Lett 23: 5014-21 (2013) Article DOI: 10.1016/j.bmcl.2013.06.008 BindingDB Entry DOI: 10.7270/Q29S1SF2
					More data for this Ligand-Target Pair