BDBM50530728 CHEMBL4584198

SMILES: N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cc(ccn1)C(N)=O)C(O)=O

InChI Key: InChIKey=VHSHMCZIBYVVRL-UYXXVWEASA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50530728   

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 (NNMT) (Homo sapiens (Human))	BDBM50530728 (CHEMBL4584198) Show SMILES N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cc(ccn1)C(N)=O)C(O)=O |r| Show InChI InChI=1S/C23H26N8O6/c24-14(23(35)36)4-2-11(1-3-13-8-12(20(26)34)5-6-27-13)7-15-17(32)18(33)22(37-15)31-10-30-16-19(25)28-9-29-21(16)31/h5-6,8-11,14-15,17-18,22,32-33H,2,4,7,24H2,(H2,26,34)(H,35,36)(H2,25,28,29)/t11-,14-,15+,17+,18+,22+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	35	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
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (NNMT) (Homo sapiens (Human))	BDBM50530728 (CHEMBL4584198) Show SMILES N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cc(ccn1)C(N)=O)C(O)=O |r| Show InChI InChI=1S/C23H26N8O6/c24-14(23(35)36)4-2-11(1-3-13-8-12(20(26)34)5-6-27-13)7-15-17(32)18(33)22(37-15)31-10-30-16-19(25)28-9-29-21(16)31/h5-6,8-11,14-15,17-18,22,32-33H,2,4,7,24H2,(H2,26,34)(H,35,36)(H2,25,28,29)/t11-,14-,15+,17+,18+,22+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	35	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
					More data for this Ligand-Target Pair