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BDBM50167084 CHEMBL3798524

SMILES: Oc1cn(ccc1=O)-c1cc(ccn1)-c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=GWOKGPRSSNNVTF-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50167084   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Catechol-O-methyltransferase


(Rattus norvegicus (Rat))
BDBM50167084
PNG
(CHEMBL3798524)
Show SMILES Oc1cn(ccc1=O)-c1cc(ccn1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H10Cl2N2O2/c17-12-2-1-10(7-13(12)18)11-3-5-19-16(8-11)20-6-4-14(21)15(22)9-20/h1-9,22H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat C-terminal His10-tagged MB-COMT transfected in Escherichia coli BL21-CodonPlus(DE3)-RIPL using SAM/dopamine as substrat...


Bioorg Med Chem Lett 26: 2952-2956 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.095
BindingDB Entry DOI: 10.7270/Q2TM7D1B
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50167084
PNG
(CHEMBL3798524)
Show SMILES Oc1cn(ccc1=O)-c1cc(ccn1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H10Cl2N2O2/c17-12-2-1-10(7-13(12)18)11-3-5-19-16(8-11)20-6-4-14(21)15(22)9-20/h1-9,22H
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged MB-COMT expressed in Bacmid using SAM/dopamine as substrate preincubated for 2 hrs followed by...


Bioorg Med Chem Lett 26: 2952-2956 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.095
BindingDB Entry DOI: 10.7270/Q2TM7D1B
More data for this
Ligand-Target Pair