BDBM50598880 CHEMBL5187248

SMILES Cc1ccc2c(c1)cc(n2Cc3ccc(cc3)Cl)[C@H]4C[C@@H](CN4C(=O)c5cc6cc[nH]c6nc5)n7ccnc7CN

InChI Key InChIKey=IRMSFVCDJOZKRF-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50598880   

TargetIndolethylamine N-methyltransferase(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50598880(CHEMBL5187248)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of N-terminal 6His-tagged full length human recombinant INMT (1 to 263 residues) expressed in Escherichia coli BL21 (DE3) cells using S-(5...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetNicotinamide N-methyltransferase(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50598880(CHEMBL5187248)
Affinity DataIC50: 16nMAssay Description:Inhibition of N-terminal 6His-tagged full length human recombinant NNMT (1 to 264 residues) expressed in Escherichia coli BL21 (DE3) cells using S-ad...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetNicotinamide N-methyltransferase(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50598880(CHEMBL5187248)
Affinity DataIC50: 5.50E+3nMAssay Description:Inhibition of NNMT in HEK293 cells measured after 20 to 24 hrs by RapidFire Mass SpectrometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMedPDB3D3D Structure (crystal)