BDBM50247635 CHEMBL4100002
SMILES: N[C@@H](CCN(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=LPHXYQMWXFEKNM-ARTPSBNFSA-N
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)) | BDBM50247635 (CHEMBL4100002) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 912 | 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)) | BDBM50247635 (CHEMBL4100002) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 912 | 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)) | BDBM50247635 (CHEMBL4100002) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of full-length human N-terminal TEV cleavage site NNMT (1 to 270 residues) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIPL cells us... | J Med Chem 62: 10783-10797 (2019) Article DOI: 10.1021/acs.jmedchem.9b01255 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nicotinamide N-methyltransferase (NNMT) (Homo sapiens (Human)) | BDBM50247635 (CHEMBL4100002) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.60E+5 | 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 | |||||||||||||
Nicotinamide N-methyltransferase (NNMT) (Homo sapiens (Human)) | BDBM50247635 (CHEMBL4100002) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 4.28E+4 | 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 |