null
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
InChI Key: InChIKey=HSCPXDPGPWYINM-NMNPZVDOSA-N
PDB links: 1 PDB ID matches this monomer.
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)) | BDBM50247634 (CHEMBL4067973) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 89 | 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 | 3D Structure (crystal) | ||||||||||||
Nicotinamide N-methyltransferase (Homo sapiens (Human)) | BDBM50247634 (CHEMBL4067973) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 89 | 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 | 3D Structure (crystal) | ||||||||||||
Histone-lysine N-methyltransferase, H3 lysine-79 specific (Homo sapiens (Human)) | BDBM50247634 (CHEMBL4067973) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai Curated by ChEMBL | Assay Description Inhibition of DOT1L (unknown origin) after 1 hr by filter-based assay | J Med Chem 61: 1541-1551 (2018) BindingDB Entry DOI: 10.7270/Q2FT8PF2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein arginine N-methyltransferase 7 (Homo sapiens (Human)) | BDBM50247634 (CHEMBL4067973) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai Curated by ChEMBL | Assay Description Inhibition of PRMT7 (unknown origin) using [3H]-SAM as co-factor by scintillation proximity assay | J Med Chem 61: 1541-1551 (2018) BindingDB Entry DOI: 10.7270/Q2FT8PF2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
RNA 5'-monophosphate methyltransferase (Homo sapiens) | BDBM50247634 (CHEMBL4067973) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai Curated by ChEMBL | Assay Description Inhibition of BCDIN3D (unknown origin) using [3H]-SAM as co-factor by scintillation proximity assay | J Med Chem 61: 1541-1551 (2018) BindingDB Entry DOI: 10.7270/Q2FT8PF2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nicotinamide N-methyltransferase (Homo sapiens (Human)) | BDBM50247634 (CHEMBL4067973) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 4.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University Curated by ChEMBL | Assay Description Inhibition of wild-type human full length NNMT expressed in Escherichia coli BL21(DE3) cells assessed as reduction in 1-methyl-nicotinamide formation... | J Med Chem 62: 6597-6614 (2019) Article DOI: 10.1021/acs.jmedchem.9b00413 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nicotinamide N-methyltransferase (Homo sapiens (Human)) | BDBM50247634 (CHEMBL4067973) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB 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) BindingDB Entry DOI: 10.7270/Q2FT8PF2 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nicotinamide N-methyltransferase (Homo sapiens (Human)) | BDBM50247634 (CHEMBL4067973) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai Curated by ChEMBL | Assay Description Inhibition of human NNMT (1 to 264 residues) expressed in Escherichia coli BL21 (DE3) using nicotinamide/SAM as substrate/co-factor measured for 20 m... | J Med Chem 61: 1541-1551 (2018) BindingDB Entry DOI: 10.7270/Q2FT8PF2 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
N-lysine methyltransferase SMYD2 (Homo sapiens (Human)) | BDBM50247634 (CHEMBL4067973) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 6.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai Curated by ChEMBL | Assay Description Inhibition of SMYD2 (unknown origin) using [3H]-SAM as co-factor by scintillation proximity assay | J Med Chem 61: 1541-1551 (2018) BindingDB Entry DOI: 10.7270/Q2FT8PF2 | |||||||||||
More data for this Ligand-Target Pair |