BDBM50502292 CHEMBL4553067

SMILES: COc1ccc(cc1OC)-c1cnc2[nH]cc(NC(=O)Cc3ccccc3)c2c1

InChI Key: InChIKey=WVACAFMWZWKZSG-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 = 50502292   

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))	BDBM50502292 (CHEMBL4553067) Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]cc(NC(=O)Cc3ccccc3)c2c1 Show InChI InChI=1S/C23H21N3O3/c1-28-20-9-8-16(12-21(20)29-2)17-11-18-19(14-25-23(18)24-13-17)26-22(27)10-15-6-4-3-5-7-15/h3-9,11-14H,10H2,1-2H3,(H,24,25)(H,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	612	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Displacement of tracer 222 from GST-tagged recombinant human AAK1 catalytic domain (1 to 510 amino acids) expressed in insect cells shaken for 30 sec...				J Med Chem 62: 5810-5831 (2019) Article DOI: 10.1021/acs.jmedchem.9b00136
					More data for this Ligand-Target Pair