BDBM50031750 CHEMBL3360321

SMILES: COc1ccc(cc1)-c1cccc2nc(NC(=O)C3(C)CC3)nn12

InChI Key: InChIKey=TZSYVRPWOFQEBE-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 = 50031750   

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))	BDBM50031750 (CHEMBL3360321) Show SMILES COc1ccc(cc1)-c1cccc2nc(NC(=O)C3(C)CC3)nn12 Show InChI InChI=1S/C18H18N4O2/c1-18(10-11-18)16(23)20-17-19-15-5-3-4-14(22(15)21-17)12-6-8-13(24-2)9-7-12/h3-9H,10-11H2,1-2H3,(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	>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