null
SMILES: CN(C)CCCC[C@@H]1NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CSCCNC(=O)[C@H](Cc2ccc(cc2)-c2ccc(cc2)C(N)=O)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CC(F)(F)CN2C1=O)c1ccccc1
InChI Key:
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)) | BDBM50566783 (CHEMBL4859806) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of human recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 2... | Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00134 BindingDB Entry DOI: 10.7270/Q21J9FJD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nicotinamide N-methyltransferase (Homo sapiens (Human)) | BDBM50566783 (CHEMBL4859806) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of human NNMT expressed in HEK293 cells assessed as reduction in 1-methyl-nicotinamide formation measured after 24 hrs by RapidFire Mass s... | Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00134 BindingDB Entry DOI: 10.7270/Q21J9FJD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nicotinamide N-methyltransferase (Mus musculus) | BDBM50566783 (CHEMBL4859806) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 0.620 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of mouse recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 2... | Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00134 BindingDB Entry DOI: 10.7270/Q21J9FJD | |||||||||||
More data for this Ligand-Target Pair |