BDBM50203126 3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinolin-5-ylium::9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ylium::9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ylium chloride::9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ylium; chloride::BERBERINE::Berberinechloride::CHEMBL12089::berberine dimer::cid_12456

SMILES COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC

InChI Key InChIKey=YBHILYKTIRIUTE-UHFFFAOYSA-N

Data  6 KI  66 IC50  3 Kd  2 EC50

PDB links: 18 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50203126   

TargetNAD(+) hydrolase SARM1(Homo sapiens)
Umass Medical School

Curated by ChEMBL
LigandPNGBDBM50203126(3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrid...)
Affinity DataKi:  1.30E+5nMAssay Description:Noncompetitive inhibition of recombinant human SARM1 TIR domain (561 to 724 residues) expressed in Escherichia coli C43 (DE3) cells lysates assessed ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNAD(+) hydrolase SARM1(Homo sapiens)
Umass Medical School

Curated by ChEMBL
LigandPNGBDBM50203126(3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrid...)
Affinity DataIC50:  1.40E+5nMAssay Description:Inhibition of recombinant human SARM1 TIR domain (561 to 724 residues) expressed in Escherichia coli C43 (DE3) cells lysates using ENAD as substrate ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNAD(+) hydrolase SARM1(Homo sapiens)
Umass Medical School

Curated by ChEMBL
LigandPNGBDBM50203126(3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrid...)
Affinity DataIC50:  1.10E+5nMAssay Description:Inhibition of recombinant human SARM1 SAM1-2-TIR domains (412 to 724 residues) expressed in Escherichia coli C43 (DE3) cells lysates using ENAD as su...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNAD(+) hydrolase SARM1(Homo sapiens)
Umass Medical School

Curated by ChEMBL
LigandPNGBDBM50203126(3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrid...)
Affinity DataIC50:  7.70E+4nMAssay Description:Inhibition of recombinant human SARM1 SAM1-2-TIR domains (412 to 724 residues) expressed in Expi293 cells lysates using ENAD as substrate preincubate...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNAD(+) hydrolase SARM1(Homo sapiens)
Umass Medical School

Curated by ChEMBL
LigandPNGBDBM50203126(3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrid...)
Affinity DataIC50:  1.40E+5nMAssay Description:Inhibition of purified human SARM1 TIR domain (561 to 724 residues) using ENAD as substrate preincubated for 20 mins followed by ENAD addition and me...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed