Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'AP2-associated protein kinase 1' and Ligand = 'BDBM50502283'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50502283 (CHEMBL4541962) Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]cc(NC(=O)c3cccnc3)c2c1 Show InChI InChI=1S/C21H18N4O3/c1-27-18-6-5-13(9-19(18)28-2)15-8-16-17(12-24-20(16)23-11-15)25-21(26)14-4-3-7-22-10-14/h3-12H,1-2H3,(H,23,24)(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	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 BindingDB Entry DOI: 10.7270/Q2CR5XMR
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50502283 (CHEMBL4541962) Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]cc(NC(=O)c3cccnc3)c2c1 Show InChI InChI=1S/C21H18N4O3/c1-27-18-6-5-13(9-19(18)28-2)15-8-16-17(12-24-20(16)23-11-15)25-21(26)14-4-3-7-22-10-14/h3-12H,1-2H3,(H,23,24)(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Binding affinity to wild type DNA-tagged human AAK1 (G25 to L333 residues) expressed in bacterial expression system by quantitative PCR based KINOMEs...				J Med Chem 62: 5810-5831 (2019) Article DOI: 10.1021/acs.jmedchem.9b00136 BindingDB Entry DOI: 10.7270/Q2CR5XMR
					More data for this Ligand-Target Pair