Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nicotinamide N-methyltransferase' and Ligand = 'BDBM50530737'   

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
Nicotinamide N-methyltransferase (Homo sapiens (Human))	BDBM50530737 (CHEMBL4449355) Show SMILES N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1ccc(c(c1)C(N)=O)C(F)(F)F)C(O)=O |r| Show InChI InChI=1S/C25H26F3N7O6/c26-25(27,28)14-5-3-11(7-13(14)21(31)38)1-2-12(4-6-15(29)24(39)40)8-16-18(36)19(37)23(41-16)35-10-34-17-20(30)32-9-33-22(17)35/h3,5,7,9-10,12,15-16,18-19,23,36-37H,4,6,8,29H2,(H2,31,38)(H,39,40)(H2,30,32,33)/t12-,15-,16+,18+,19+,23+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BioKin Ltd. Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged wild type human NNMT expressed in Escherichia coli NiCo21(DE3) assessed as reduction in 1-methylquinolinium leve...				J Med Chem 62: 9837-9873 (2019) Article DOI: 10.1021/acs.jmedchem.9b01238 BindingDB Entry DOI: 10.7270/Q2D50RDJ
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Homo sapiens (Human))	BDBM50530737 (CHEMBL4449355) Show SMILES N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1ccc(c(c1)C(N)=O)C(F)(F)F)C(O)=O |r| Show InChI InChI=1S/C25H26F3N7O6/c26-25(27,28)14-5-3-11(7-13(14)21(31)38)1-2-12(4-6-15(29)24(39)40)8-16-18(36)19(37)23(41-16)35-10-34-17-20(30)32-9-33-22(17)35/h3,5,7,9-10,12,15-16,18-19,23,36-37H,4,6,8,29H2,(H2,31,38)(H,39,40)(H2,30,32,33)/t12-,15-,16+,18+,19+,23+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BioKin Ltd. Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged wild type human NNMT expressed in Escherichia coli NiCo21(DE3) assessed as reduction in 1-methylquinolinium leve...				J Med Chem 62: 9837-9873 (2019) Article DOI: 10.1021/acs.jmedchem.9b01238 BindingDB Entry DOI: 10.7270/Q2D50RDJ
					More data for this Ligand-Target Pair