BDBM50031761 CHEMBL3360331

SMILES: CCC(=O)Nc1nc2cccc(-c3ccc(OC)cc3)n2n1

InChI Key: InChIKey=QPJSGVYDUHRFQB-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 = 50031761   

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 JAK1 (Homo sapiens (Human))	BDBM50031761 (CHEMBL3360331) Show SMILES CCC(=O)Nc1nc2cccc(-c3ccc(OC)cc3)n2n1 Show InChI InChI=1S/C16H16N4O2/c1-3-15(21)18-16-17-14-6-4-5-13(20(14)19-16)11-7-9-12(22-2)10-8-11/h4-10H,3H2,1-2H3,(H,18,19,21)	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	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Galapagos NV Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK1				J Med Chem 57: 9323-42 (2014) Article DOI: 10.1021/jm501262q BindingDB Entry DOI: 10.7270/Q2GH9KK6
					More data for this Ligand-Target Pair