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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50247635   
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


(Homo sapiens (Human))
BDBM50247635
PNG
(CHEMBL4100002)
Show 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 |r|
Show InChI InChI=1S/C23H30N8O6/c24-14(23(35)36)5-7-30(6-4-12-2-1-3-13(8-12)20(26)34)9-15-17(32)18(33)22(37-15)31-11-29-16-19(25)27-10-28-21(16)31/h1-3,8,10-11,14-15,17-18,22,32-33H,4-7,9,24H2,(H2,26,34)(H,35,36)(H2,25,27,28)/t14-,15+,17+,18+,22+/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
912n/an/an/an/an/an/an/an/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
BindingDB Entry DOI: 10.7270/Q2D50RDJ
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50247635
PNG
(CHEMBL4100002)
Show 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 |r|
Show InChI InChI=1S/C23H30N8O6/c24-14(23(35)36)5-7-30(6-4-12-2-1-3-13(8-12)20(26)34)9-15-17(32)18(33)22(37-15)31-11-29-16-19(25)27-10-28-21(16)31/h1-3,8,10-11,14-15,17-18,22,32-33H,4-7,9,24H2,(H2,26,34)(H,35,36)(H2,25,27,28)/t14-,15+,17+,18+,22+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
912n/an/an/an/an/an/an/an/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
BindingDB Entry DOI: 10.7270/Q2D50RDJ
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50247635
PNG
(CHEMBL4100002)
Show 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 |r|
Show InChI InChI=1S/C23H30N8O6/c24-14(23(35)36)5-7-30(6-4-12-2-1-3-13(8-12)20(26)34)9-15-17(32)18(33)22(37-15)31-11-29-16-19(25)27-10-28-21(16)31/h1-3,8,10-11,14-15,17-18,22,32-33H,4-7,9,24H2,(H2,26,34)(H,35,36)(H2,25,27,28)/t14-,15+,17+,18+,22+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/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
BindingDB Entry DOI: 10.7270/Q2WD43VS
More data for this
Ligand-Target Pair