BDBM50502300 CHEMBL4468845

SMILES: COc1ccc(cc1OC)-c1cnc2[nH]cc(C#Cc3ccc(F)cc3)c2c1

InChI Key: InChIKey=HGIRXUUITBCEFW-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 = 50502300   

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))	BDBM50502300 (CHEMBL4468845) Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]cc(C#Cc3ccc(F)cc3)c2c1 Show InChI InChI=1S/C23H17FN2O2/c1-27-21-10-7-16(12-22(21)28-2)18-11-20-17(13-25-23(20)26-14-18)6-3-15-4-8-19(24)9-5-15/h4-5,7-14H,1-2H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	387	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