BDBM50502285 CHEMBL4543869

SMILES: COc1cc2nc(nc(C#N)c2cc1-c1cnco1)C(N)CC(C)C

InChI Key: InChIKey=BJGMRGWCOBKGME-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 = 50502285   

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
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50502285 (CHEMBL4543869) Show SMILES COc1cc2nc(nc(C#N)c2cc1-c1cnco1)C(N)CC(C)C Show InChI InChI=1S/C18H19N5O2/c1-10(2)4-13(20)18-22-14-6-16(24-3)12(17-8-21-9-25-17)5-11(14)15(7-19)23-18/h5-6,8-10,13H,4,20H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Inhibition of thrombin-recognition site-fused GST-tagged human AAK1 expressed in bacterial expression system using 5-FAM-Aha-KEEQSQITSQVTGQIGWR-NH2 a...				J Med Chem 62: 5810-5831 (2019) Article DOI: 10.1021/acs.jmedchem.9b00136
					More data for this Ligand-Target Pair