Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nicotinamide N-methyltransferase' and Ligand = 'BDBM50530733'   

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))	BDBM50530733 (CHEMBL4475449) Show SMILES NC(=O)CCC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cccc(c1)C(N)=O |r| Show InChI InChI=1S/C24H27N7O5/c25-17(32)6-2-4-14(8-7-13-3-1-5-15(9-13)22(27)35)10-16-19(33)20(34)24(36-16)31-12-30-18-21(26)28-11-29-23(18)31/h1,3,5,9,11-12,14,16,19-20,24,33-34H,2,4,6,10H2,(H2,25,32)(H2,27,35)(H2,26,28,29)/t14-,16-,19-,20-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.05E+3	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))	BDBM50530733 (CHEMBL4475449) Show SMILES NC(=O)CCC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cccc(c1)C(N)=O |r| Show InChI InChI=1S/C24H27N7O5/c25-17(32)6-2-4-14(8-7-13-3-1-5-15(9-13)22(27)35)10-16-19(33)20(34)24(36-16)31-12-30-18-21(26)28-11-29-23(18)31/h1,3,5,9,11-12,14,16,19-20,24,33-34H,2,4,6,10H2,(H2,25,32)(H2,27,35)(H2,26,28,29)/t14-,16-,19-,20-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.05E+3	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