Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nicotinamide N-methyltransferase' and Ligand = 'BDBM50530724'   

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))	BDBM50530724 (CHEMBL4519184) Show SMILES Cc1ccc(cc1C(N)=O)C#C[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C25H29N7O6/c1-12-2-3-13(8-15(12)22(28)35)4-5-14(6-7-16(26)25(36)37)9-17-19(33)20(34)24(38-17)32-11-31-18-21(27)29-10-30-23(18)32/h2-3,8,10-11,14,16-17,19-20,24,33-34H,6-7,9,26H2,1H3,(H2,28,35)(H,36,37)(H2,27,29,30)/t14-,16-,17+,19+,20+,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40	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))	BDBM50530724 (CHEMBL4519184) Show SMILES Cc1ccc(cc1C(N)=O)C#C[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C25H29N7O6/c1-12-2-3-13(8-15(12)22(28)35)4-5-14(6-7-16(26)25(36)37)9-17-19(33)20(34)24(38-17)32-11-31-18-21(27)29-10-30-23(18)32/h2-3,8,10-11,14,16-17,19-20,24,33-34H,6-7,9,26H2,1H3,(H2,28,35)(H,36,37)(H2,27,29,30)/t14-,16-,17+,19+,20+,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40	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