Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nicotinamide N-methyltransferase' and Ligand = 'BDBM50530726'   

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))	BDBM50530726 (CHEMBL4587553) Show SMILES N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1ccnc(c1)C(N)=O)C(O)=O |r| Show InChI InChI=1S/C23H26N8O6/c24-13(23(35)36)4-3-11(1-2-12-5-6-27-14(7-12)20(26)34)8-15-17(32)18(33)22(37-15)31-10-30-16-19(25)28-9-29-21(16)31/h5-7,9-11,13,15,17-18,22,32-33H,3-4,8,24H2,(H2,26,34)(H,35,36)(H2,25,28,29)/t11-,13-,15+,17+,18+,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.90	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))	BDBM50530726 (CHEMBL4587553) Show SMILES N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1ccnc(c1)C(N)=O)C(O)=O |r| Show InChI InChI=1S/C23H26N8O6/c24-13(23(35)36)4-3-11(1-2-12-5-6-27-14(7-12)20(26)34)8-15-17(32)18(33)22(37-15)31-10-30-16-19(25)28-9-29-21(16)31/h5-7,9-11,13,15,17-18,22,32-33H,3-4,8,24H2,(H2,26,34)(H,35,36)(H2,25,28,29)/t11-,13-,15+,17+,18+,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.90	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