Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'AP2-associated protein kinase 1' and Ligand = 'BDBM321107'   

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))	BDBM321107 ((S)-ethyl (8-((2-amino-2,4-dimethylpentyl)oxy)-6H-...) Show SMILES CCOC(=O)Nc1cc-2c(OCc3cc(OC[C@@](C)(N)CC(C)C)ccc-23)cn1 |r| Show InChI InChI=1S/C22H29N3O4/c1-5-27-21(26)25-20-9-18-17-7-6-16(29-13-22(4,23)10-14(2)3)8-15(17)12-28-19(18)11-24-20/h6-9,11,14H,5,10,12-13,23H2,1-4H3,(H,24,25,26)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Inhibition of thrombin-recognition site-fused GST-tagged human AAK1 expressed in bacterial expression system using 5-FAM-Aha-KEEQSQITSQVTGQIGWR-NH2 a...				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))	BDBM321107 ((S)-ethyl (8-((2-amino-2,4-dimethylpentyl)oxy)-6H-...) Show SMILES CCOC(=O)Nc1cc-2c(OCc3cc(OC[C@@](C)(N)CC(C)C)ccc-23)cn1 |r| Show InChI InChI=1S/C22H29N3O4/c1-5-27-21(26)25-20-9-18-17-7-6-16(29-13-22(4,23)10-14(2)3)8-15(17)12-28-19(18)11-24-20/h6-9,11,14H,5,10,12-13,23H2,1-4H3,(H,24,25,26)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US10174044 (2019) BindingDB Entry DOI: 10.7270/Q2222WVN
					More data for this Ligand-Target Pair