BDBM50031765 CHEMBL3360335

SMILES: COc1ccc(cn1)-c1cccc2nc(NC(=O)C3CC3)nn12

InChI Key: InChIKey=IDAKMDHTFHKJTR-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 = 50031765   

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))	BDBM50031765 (CHEMBL3360335) Show SMILES COc1ccc(cn1)-c1cccc2nc(NC(=O)C3CC3)nn12 Show InChI InChI=1S/C16H15N5O2/c1-23-14-8-7-11(9-17-14)12-3-2-4-13-18-16(20-21(12)13)19-15(22)10-5-6-10/h2-4,7-10H,5-6H2,1H3,(H,19,20,22)	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	547	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