Compile Data Set for Download or QSAR

Found 7 hits of kd for UniProtKB: P40261   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Nicotinamide N-methyltransferase (Homo sapiens (Human))	BDBM50588067 (CHEMBL5189197) Show SMILES N[C@@H](CCN(C\C=C\c1ccc(cc1)C#N)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01094 BindingDB Entry DOI: 10.7270/Q22V2M2Z
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Homo sapiens (Human))	BDBM50247634 (CHEMBL4067973) Show SMILES N[C@@H](CCCN(CCc1cccc(c1)C(N)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r| Show InChI InChI=1S/C24H32N8O6/c25-15(24(36)37)5-2-7-31(8-6-13-3-1-4-14(9-13)21(27)35)10-16-18(33)19(34)23(38-16)32-12-30-17-20(26)28-11-29-22(17)32/h1,3-4,9,11-12,15-16,18-19,23,33-34H,2,5-8,10,25H2,(H2,27,35)(H,36,37)(H2,26,28,29)/t15-,16+,18+,19+,23+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Binding affinity to human NNMT (1 to 264 residues) expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetric method				J Med Chem 61: 1541-1551 (2018) Article DOI: 10.1021/acs.jmedchem.7b01422 BindingDB Entry DOI: 10.7270/Q2FT8PF2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nicotinamide N-methyltransferase (Homo sapiens (Human))	BDBM50502451 (CHEMBL4454921) Show SMILES N[C@@H](CCN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)Cc1ccc2ccccc2c1)C(O)=O |r| Show InChI InChI=1S/C25H29N7O5/c26-17(25(35)36)7-8-31(10-14-5-6-15-3-1-2-4-16(15)9-14)11-18-20(33)21(34)24(37-18)32-13-30-19-22(27)28-12-29-23(19)32/h1-6,9,12-13,17-18,20-21,24,33-34H,7-8,10-11,26H2,(H,35,36)(H2,27,28,29)/t17-,18+,20+,21+,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.55E+3	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Binding affinity to wild-type human full length NNMT expressed in Escherichia coli BL21(DE3)-codonplus-RIL cells by isothermal titration calorimetry				J Med Chem 62: 6597-6614 (2019) Article DOI: 10.1021/acs.jmedchem.9b00413 BindingDB Entry DOI: 10.7270/Q2ZK5KX6
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Homo sapiens (Human))	BDBM50502446 (CHEMBL4470754) Show SMILES COC(=O)c1cccc(CN(CC[C@H](N)C(O)=O)C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)c1 |r| Show InChI InChI=1S/C23H29N7O7/c1-36-23(35)13-4-2-3-12(7-13)8-29(6-5-14(24)22(33)34)9-15-17(31)18(32)21(37-15)30-11-28-16-19(25)26-10-27-20(16)30/h2-4,7,10-11,14-15,17-18,21,31-32H,5-6,8-9,24H2,1H3,(H,33,34)(H2,25,26,27)/t14-,15+,17+,18+,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Binding affinity to wild-type human full length NNMT expressed in Escherichia coli BL21(DE3)-codonplus-RIL cells by isothermal titration calorimetry				J Med Chem 62: 6597-6614 (2019) Article DOI: 10.1021/acs.jmedchem.9b00413 BindingDB Entry DOI: 10.7270/Q2ZK5KX6
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Homo sapiens (Human))	BDBM50502439 (CHEMBL4520769) Show SMILES N[C@@H](CCN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)Cc1cccc(c1)C(N)=O)C(O)=O |r| Show InChI InChI=1S/C22H28N8O6/c23-13(22(34)35)4-5-29(7-11-2-1-3-12(6-11)19(25)33)8-14-16(31)17(32)21(36-14)30-10-28-15-18(24)26-9-27-20(15)30/h1-3,6,9-10,13-14,16-17,21,31-32H,4-5,7-8,23H2,(H2,25,33)(H,34,35)(H2,24,26,27)/t13-,14+,16+,17+,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Binding affinity to wild-type human full length NNMT expressed in Escherichia coli BL21(DE3)-codonplus-RIL cells by isothermal titration calorimetry				J Med Chem 62: 6597-6614 (2019) Article DOI: 10.1021/acs.jmedchem.9b00413 BindingDB Entry DOI: 10.7270/Q2ZK5KX6
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Homo sapiens (Human))	BDBM50247635 (CHEMBL4100002) Show SMILES N[C@@H](CCN(CCc1cccc(c1)C(N)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r| Show InChI InChI=1S/C23H30N8O6/c24-14(23(35)36)5-7-30(6-4-12-2-1-3-13(8-12)20(26)34)9-15-17(32)18(33)22(37-15)31-11-29-16-19(25)27-10-28-21(16)31/h1-3,8,10-11,14-15,17-18,22,32-33H,4-7,9,24H2,(H2,26,34)(H,35,36)(H2,25,27,28)/t14-,15+,17+,18+,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.28E+4	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Binding affinity to human NNMT (1 to 264 residues) expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetric method				J Med Chem 61: 1541-1551 (2018) Article DOI: 10.1021/acs.jmedchem.7b01422 BindingDB Entry DOI: 10.7270/Q2FT8PF2
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Homo sapiens (Human))	BDBM50502449 (CHEMBL4474988) Show SMILES N[C@@H](CCN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)Cc1cccc(c1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C22H27N7O7/c23-13(22(34)35)4-5-28(7-11-2-1-3-12(6-11)21(32)33)8-14-16(30)17(31)20(36-14)29-10-27-15-18(24)25-9-26-19(15)29/h1-3,6,9-10,13-14,16-17,20,30-31H,4-5,7-8,23H2,(H,32,33)(H,34,35)(H2,24,25,26)/t13-,14+,16+,17+,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.24E+5	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Binding affinity to wild-type human full length NNMT expressed in Escherichia coli BL21(DE3)-codonplus-RIL cells by isothermal titration calorimetry				J Med Chem 62: 6597-6614 (2019) Article DOI: 10.1021/acs.jmedchem.9b00413 BindingDB Entry DOI: 10.7270/Q2ZK5KX6
					More data for this Ligand-Target Pair