BDBM50530723 CHEMBL4455627

SMILES: N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1ccc(F)c(c1)C(N)=O)C(O)=O

InChI Key: InChIKey=FMHLPSYZMVYSPQ-UUIJQPLXSA-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 = 50530723   

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))	BDBM50530723 (CHEMBL4455627) Show SMILES N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1ccc(F)c(c1)C(N)=O)C(O)=O |r| Show InChI InChI=1S/C24H26FN7O6/c25-14-5-3-11(7-13(14)21(28)35)1-2-12(4-6-15(26)24(36)37)8-16-18(33)19(34)23(38-16)32-10-31-17-20(27)29-9-30-22(17)32/h3,5,7,9-10,12,15-16,18-19,23,33-34H,4,6,8,26H2,(H2,28,35)(H,36,37)(H2,27,29,30)/t12-,15-,16+,18+,19+,23+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	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))	BDBM50530723 (CHEMBL4455627) Show SMILES N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1ccc(F)c(c1)C(N)=O)C(O)=O |r| Show InChI InChI=1S/C24H26FN7O6/c25-14-5-3-11(7-13(14)21(28)35)1-2-12(4-6-15(26)24(36)37)8-16-18(33)19(34)23(38-16)32-10-31-17-20(27)29-9-30-22(17)32/h3,5,7,9-10,12,15-16,18-19,23,33-34H,4,6,8,26H2,(H2,28,35)(H,36,37)(H2,27,29,30)/t12-,15-,16+,18+,19+,23+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	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