BDBM50502290 CHEMBL4524476

SMILES: COc1ccc(cc1OC)-c1cnc2[nH]cc(NC(=O)c3ccc(F)cc3)c2c1

InChI Key: InChIKey=XYRBBGSZAYQVBP-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 = 50502290   

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))	BDBM50502290 (CHEMBL4524476) Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]cc(NC(=O)c3ccc(F)cc3)c2c1 Show InChI InChI=1S/C22H18FN3O3/c1-28-19-8-5-14(10-20(19)29-2)15-9-17-18(12-25-21(17)24-11-15)26-22(27)13-3-6-16(23)7-4-13/h3-12H,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	161	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