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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nicotinamide N-methyltransferase (NNMT)' and Ligand = 'BDBM197172'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nicotinamide N-methyltransferase (NNMT)


(Homo sapiens (Human))
BDBM197172
PNG
(AdoHcy)
Show SMILES C[S+](CCC([NH3+])C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7?,8-,10-,11-,14-,27?/s2
PDB

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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.63E+4n/an/an/an/a8.637



Utrecht University



Assay Description
Enzyme activity assays were performed as previously described with NNMT (16.25 ug/mL, 550 nM) in 50 mM Tris buffer (pH 8.6) containing 1 mM DTT (all ...


Biochemistry 55: 5307-15 (2016)


Article DOI: 10.1021/acs.biochem.6b00733
BindingDB Entry DOI: 10.7270/Q2H130TH
More data for this
Ligand-Target Pair