BDBM50031751 CHEMBL3360322

SMILES: COc1ccc(cc1)-c1cccc2nc(nn12)N(C)C(=O)C1CC1

InChI Key: InChIKey=MHZQSFYEHHVFDN-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 = 50031751   

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))	BDBM50031751 (CHEMBL3360322) Show SMILES COc1ccc(cc1)-c1cccc2nc(nn12)N(C)C(=O)C1CC1 Show InChI InChI=1S/C18H18N4O2/c1-21(17(23)13-6-7-13)18-19-16-5-3-4-15(22(16)20-18)12-8-10-14(24-2)11-9-12/h3-5,8-11,13H,6-7H2,1-2H3	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	>1.00E+4	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