Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Nicotinamide N-methyltransferase' and Ligand = 'BDBM50566784'   

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))	BDBM50566784 (CHEMBL4872872) Show SMILES CN1[C@@H](Cc2ccccc2)C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H](CC(C)(C)C)C(=O)N2CCCC[C@H]2C(=O)N2CC(F)(F)C[C@H]2C(=O)N2Cc3ccccc3C[C@H]2C(=O)N[C@@H](Cc2ccc(cc2)-c2ccc(cc2)C(N)=O)C(=O)NCCSCC1=O)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 2...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00134 BindingDB Entry DOI: 10.7270/Q21J9FJD
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Mus musculus)	BDBM50566784 (CHEMBL4872872) Show SMILES CN1[C@@H](Cc2ccccc2)C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H](CC(C)(C)C)C(=O)N2CCCC[C@H]2C(=O)N2CC(F)(F)C[C@H]2C(=O)N2Cc3ccccc3C[C@H]2C(=O)N[C@@H](Cc2ccc(cc2)-c2ccc(cc2)C(N)=O)C(=O)NCCSCC1=O)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 2...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00134 BindingDB Entry DOI: 10.7270/Q21J9FJD
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Homo sapiens (Human))	BDBM50566784 (CHEMBL4872872) Show SMILES CN1[C@@H](Cc2ccccc2)C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H](CC(C)(C)C)C(=O)N2CCCC[C@H]2C(=O)N2CC(F)(F)C[C@H]2C(=O)N2Cc3ccccc3C[C@H]2C(=O)N[C@@H](Cc2ccc(cc2)-c2ccc(cc2)C(N)=O)C(=O)NCCSCC1=O)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NNMT expressed in HEK293 cells assessed as reduction in 1-methyl-nicotinamide formation measured after 24 hrs by RapidFire Mass s...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00134 BindingDB Entry DOI: 10.7270/Q21J9FJD
					More data for this Ligand-Target Pair