Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 7479   

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))	BDBM13016 (1,2,3,4-tetrahydroisoquinoline | CHEMBL14346 | THI...) Show SMILES C1Cc2ccccc2CN1 Show InChI InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.70E+7	-7.88	n/a	n/a	n/a	n/a	n/a	8.6	37
Utrecht University					Assay Description Enzyme activity assays were performed as previously described with NNMT (16.25 ug/mL, 550 nM) in 50 mM Tris buffer (pH 8.6) containing 1 mM DTT (all ...				Biochemistry 55: 5307-15 (2016) Article DOI: 10.1021/acs.biochem.6b00733 BindingDB Entry DOI: 10.7270/Q2H130TH
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Homo sapiens (Human))	BDBM60920 (thionicotinamide) Show SMILES NC(=S)c1cccnc1 Show InChI InChI=1S/C6H6N2S/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	6.60E+7	-7.01	n/a	n/a	n/a	n/a	n/a	8.6	37
Utrecht University					Assay Description Enzyme activity assays were performed as previously described with NNMT (16.25 ug/mL, 550 nM) in 50 mM Tris buffer (pH 8.6) containing 1 mM DTT (all ...				Biochemistry 55: 5307-15 (2016) Article DOI: 10.1021/acs.biochem.6b00733 BindingDB Entry DOI: 10.7270/Q2H130TH
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Homo sapiens (Human))	BDBM60924 (quinoline 3-carboxamide) Show SMILES NC(=O)c1cnc2ccccc2c1 Show InChI InChI=1S/C10H8N2O/c11-10(13)8-5-7-3-1-2-4-9(7)12-6-8/h1-6H,(H2,11,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	9.70E+7	-6.02	n/a	n/a	n/a	n/a	n/a	8.6	37
Utrecht University					Assay Description Enzyme activity assays were performed as previously described with NNMT (16.25 ug/mL, 550 nM) in 50 mM Tris buffer (pH 8.6) containing 1 mM DTT (all ...				Biochemistry 55: 5307-15 (2016) Article DOI: 10.1021/acs.biochem.6b00733 BindingDB Entry DOI: 10.7270/Q2H130TH
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Homo sapiens (Human))	BDBM50047015 (CHEMBL14474 | Chinolin | benzo[b]pyridine | quinol...) Show SMILES c1ccc2ncccc2c1 Show InChI InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.02E+8	-5.89	n/a	n/a	n/a	n/a	n/a	8.6	37
Utrecht University					Assay Description Enzyme activity assays were performed as previously described with NNMT (16.25 ug/mL, 550 nM) in 50 mM Tris buffer (pH 8.6) containing 1 mM DTT (all ...				Biochemistry 55: 5307-15 (2016) Article DOI: 10.1021/acs.biochem.6b00733 BindingDB Entry DOI: 10.7270/Q2H130TH
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Homo sapiens (Human))	BDBM60921 (isoquinoline) Show SMILES c1ccc2cnccc2c1 Show InChI InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem	Article PubMed	2.02E+8	-4.12	n/a	n/a	n/a	n/a	n/a	8.6	37
Utrecht University					Assay Description Enzyme activity assays were performed as previously described with NNMT (16.25 ug/mL, 550 nM) in 50 mM Tris buffer (pH 8.6) containing 1 mM DTT (all ...				Biochemistry 55: 5307-15 (2016) Article DOI: 10.1021/acs.biochem.6b00733 BindingDB Entry DOI: 10.7270/Q2H130TH
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Homo sapiens (Human))	BDBM197173 (Sinefungin) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](C[C@@H]([NH3+])CC[C@H]([NH3+])C([O-])=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/p+1/t6-,7-,8+,10+,11+,14+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	8.6	37
Utrecht University					Assay Description Enzyme activity assays were performed as previously described with NNMT (16.25 ug/mL, 550 nM) in 50 mM Tris buffer (pH 8.6) containing 1 mM DTT (all ...				Biochemistry 55: 5307-15 (2016) Article DOI: 10.1021/acs.biochem.6b00733 BindingDB Entry DOI: 10.7270/Q2H130TH
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Homo sapiens (Human))	BDBM197172 (AdoHcy) Show SMILES C[S+](CCC([NH3+])C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7?,8-,10-,11-,14-,27?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.63E+4	n/a	n/a	n/a	n/a	8.6	37
Utrecht University					Assay Description Enzyme activity assays were performed as previously described with NNMT (16.25 ug/mL, 550 nM) in 50 mM Tris buffer (pH 8.6) containing 1 mM DTT (all ...				Biochemistry 55: 5307-15 (2016) Article DOI: 10.1021/acs.biochem.6b00733 BindingDB Entry DOI: 10.7270/Q2H130TH
					More data for this Ligand-Target Pair