BDBM50502294 CHEMBL4476807

SMILES: COc1ccc(cc1OC)-c1cnc2[nH]cc(NS(=O)(=O)c3ccccc3)c2c1

InChI Key: InChIKey=MKPVAQDLIYMDQI-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 = 50502294   

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))	BDBM50502294 (CHEMBL4476807) Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]cc(NS(=O)(=O)c3ccccc3)c2c1 Show InChI InChI=1S/C21H19N3O4S/c1-27-19-9-8-14(11-20(19)28-2)15-10-17-18(13-23-21(17)22-12-15)24-29(25,26)16-6-4-3-5-7-16/h3-13,24H,1-2H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.44E+3	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