BDBM50568682 CHEMBL4861470

SMILES COc1cc(\C=C\c2nc(NCc3ccc(C)cc3)c3sccc3n2)cc(OC)c1OC

InChI Key InChIKey=WAULYOROXYPURJ-MDZDMXLPSA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50568682   

TargetNitric oxide synthase, inducible(Mus musculus (mouse))
Anhui Medical University

Curated by ChEMBL
LigandPNGBDBM50568682(CHEMBL4861470)
Affinity DataIC50:  960nMAssay Description:Inhibition of LPS induced NO-dependent iNOS activity in mouse RAW 264.7 cells preincubated for 1 hrs followed by LPS stimulation and measured after 2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Anhui Medical University

Curated by ChEMBL
LigandPNGBDBM50568682(CHEMBL4861470)
Affinity DataIC50:  4.22E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using Phenacetin as substrate measured after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4/3A5(Homo sapiens (Human))
Anhui Medical University

Curated by ChEMBL
LigandPNGBDBM50568682(CHEMBL4861470)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP3A4/5 in human liver microsomes using Midazolam as substrate measured after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Anhui Medical University

Curated by ChEMBL
LigandPNGBDBM50568682(CHEMBL4861470)
Affinity DataIC50:  7.76E+3nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using Mephenytoin as substrate measured after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Anhui Medical University

Curated by ChEMBL
LigandPNGBDBM50568682(CHEMBL4861470)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using Dextromethorphan as substrate measured after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Anhui Medical University

Curated by ChEMBL
LigandPNGBDBM50568682(CHEMBL4861470)
Affinity DataIC50:  8.91E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using Diclofenac as substrate measured after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed