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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ribosyldihydronicotinamide dehydrogenase [quinone]' and Ligand = 'BDBM50112200'   
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
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50112200
PNG
(CHEMBL300056 | N-(2-(2-iodo-5-methoxy-1-methyl-1H-...)
Show SMILES COc1ccc2n(C)c(I)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C14H17IN2O2/c1-9(18)16-7-6-11-12-8-10(19-3)4-5-13(12)17(2)14(11)15/h4-5,8H,6-7H2,1-3H3,(H,16,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.0880n/an/an/an/an/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Inhibition of 2-[125I]iodomelatonin binding to Melatonin receptor 3 (MT3) of Syrian hamster brain membrane


J Med Chem 45: 1853-9 (2002)


BindingDB Entry DOI: 10.7270/Q2V69HX5
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50112200
PNG
(CHEMBL300056 | N-(2-(2-iodo-5-methoxy-1-methyl-1H-...)
Show SMILES COc1ccc2n(C)c(I)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C14H17IN2O2/c1-9(18)16-7-6-11-12-8-10(19-3)4-5-13(12)17(2)14(11)15/h4-5,8H,6-7H2,1-3H3,(H,16,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0891n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells


Eur J Med Chem 43: 2861-9 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.012
BindingDB Entry DOI: 10.7270/Q21C1Z31
More data for this
Ligand-Target Pair