BDBM50530725 CHEMBL4435314

SMILES: N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cc(cc2OCOc12)C(N)=O)C(O)=O

InChI Key: InChIKey=FDPPBDIXJSVUGR-BSTDOXGBSA-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 = 50530725   

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))	BDBM50530725 (CHEMBL4435314) 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(cc2OCOc12)C(N)=O)C(O)=O |r| Show InChI InChI=1S/C25H27N7O8/c26-14(25(36)37)4-2-11(1-3-12-6-13(22(28)35)7-16-20(12)39-10-38-16)5-15-18(33)19(34)24(40-15)32-9-31-17-21(27)29-8-30-23(17)32/h6-9,11,14-15,18-19,24,33-34H,2,4-5,10,26H2,(H2,28,35)(H,36,37)(H2,27,29,30)/t11-,14-,15+,18+,19+,24+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	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))	BDBM50530725 (CHEMBL4435314) 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(cc2OCOc12)C(N)=O)C(O)=O |r| Show InChI InChI=1S/C25H27N7O8/c26-14(25(36)37)4-2-11(1-3-12-6-13(22(28)35)7-16-20(12)39-10-38-16)5-15-18(33)19(34)24(40-15)32-9-31-17-21(27)29-8-30-23(17)32/h6-9,11,14-15,18-19,24,33-34H,2,4-5,10,26H2,(H2,28,35)(H,36,37)(H2,27,29,30)/t11-,14-,15+,18+,19+,24+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	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