Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'N-terminal Xaa-Pro-Lys N-methyltransferase 1' and Ligand = 'BDBM50593134'   

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
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (Homo sapiens)	BDBM50593134 (CHEMBL5170768) Show SMILES CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(CCC(O)=O)cc1 |r,wU:7.6,(-4.96,3.4,;-4.96,1.86,;-3.63,2.63,;-6.5,1.86,;-7.27,3.19,;-6.5,4.53,;-8.81,3.19,;-9.58,1.86,;-11.12,1.86,;-11.89,.53,;-11.12,-.81,;-9.58,-.81,;-8.81,.53,;-10.16,1.24,;-10.56,-.24,;-4.19,.53,;-4.67,-.94,;-3.42,-1.84,;-2.18,-.94,;-2.65,.53,;-.69,-1.34,;.4,-.25,;1.88,-.65,;2.28,-2.13,;3.77,-2.53,;4.86,-1.44,;6.35,-1.84,;7.43,-.75,;6.75,-3.34,;1.2,-3.22,;-.29,-2.83,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01050 BindingDB Entry DOI: 10.7270/Q2SN0DXC
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