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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Indolethylamine N-methyltransferase' and Ligand = 'BDBM50000169'   
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
Indolethylamine N-methyltransferase


(Oryctolagus cuniculus)
BDBM50000169
PNG
(CHEMBL3228261)
Show SMILES OC(=O)\C=C\C(O)=O.C1CCC2=NCCCN2C1 |t:10|
Show InChI InChI=1S/C8H14N2.C4H4O4/c1-2-6-10-7-3-5-9-8(10)4-1;5-3(6)1-2-4(7)8/h1-7H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of New Zealand white rabbit lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presen...


J Med Chem 22: 237-47 (1979)


BindingDB Entry DOI: 10.7270/Q28S4RFG
More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens (Human))
BDBM50000169
PNG
(CHEMBL3228261)
Show SMILES OC(=O)\C=C\C(O)=O.C1CCC2=NCCCN2C1 |t:10|
Show InChI InChI=1S/C8H14N2.C4H4O4/c1-2-6-10-7-3-5-9-8(10)4-1;5-3(6)1-2-4(7)8/h1-7H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)


BindingDB Entry DOI: 10.7270/Q28S4RFG
More data for this
Ligand-Target Pair