BDBM50530720 CHEMBL4565052

SMILES: N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cccc(c1)C(N)=O)C(N)=O

InChI Key: InChIKey=XREWKDYNNWFFFK-KSBQOTSRSA-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 = 50530720   

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))	BDBM50530720 (CHEMBL4565052) Show SMILES N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cccc(c1)C(N)=O)C(N)=O |r| Show InChI InChI=1S/C24H28N8O5/c25-15(22(28)36)7-6-13(5-4-12-2-1-3-14(8-12)21(27)35)9-16-18(33)19(34)24(37-16)32-11-31-17-20(26)29-10-30-23(17)32/h1-3,8,10-11,13,15-16,18-19,24,33-34H,6-7,9,25H2,(H2,27,35)(H2,28,36)(H2,26,29,30)/t13-,15-,16+,18+,19+,24+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	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))	BDBM50530720 (CHEMBL4565052) Show SMILES N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cccc(c1)C(N)=O)C(N)=O |r| Show InChI InChI=1S/C24H28N8O5/c25-15(22(28)36)7-6-13(5-4-12-2-1-3-14(8-12)21(27)35)9-16-18(33)19(34)24(37-16)32-11-31-17-20(26)29-10-30-23(17)32/h1-3,8,10-11,13,15-16,18-19,24,33-34H,6-7,9,25H2,(H2,27,35)(H2,28,36)(H2,26,29,30)/t13-,15-,16+,18+,19+,24+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	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