BDBM43838 4-O-[5-bromo-2-cyclopropyl-3-(4-methoxyphenyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] 1-O-methyl butanedioate::CMLD004038::Glucosamine derivative, 11::MLS000438679::O4-[5-bromanyl-2-cyclopropyl-3-(4-methoxyphenyl)-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] O1-methyl butanedioate::SMR000452728::butanedioic acid O4-[5-bromo-2-cyclopropyl-3-(4-methoxyphenyl)-7-methyl-6,8-dioxo-7-isoquinolinyl] ester O1-methyl ester::cid_16759689::succinic acid O4-[5-bromo-2-cyclopropyl-6,8-diketo-3-(4-methoxyphenyl)-7-methyl-7-isoquinolyl] ester O1-methyl ester

SMILES COC(=O)CCC(=O)OC1(C)C(=O)C(Br)=C2C=C(N(C=C2C1=O)C1CC1)c1ccc(OC)cc1

InChI Key InChIKey=ZWILRIIIGUBNDA-UHFFFAOYSA-N

Data  1 KI  7 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 43838   

TargetPhosphotransferase(Trypanosoma brucei)
Universite Paul Sabatier

LigandPNGBDBM43838(4-O-[5-bromo-2-cyclopropyl-3-(4-methoxyphenyl)-7-m...)
Affinity DataKi:  3.00E+4nM ΔG°:  -6.17kcal/mole IC50:  3.00E+6nMT: 2°CAssay Description:Competitive inhibition assay for glucosamine derivatives on hexokinase from trypanosoma brucei. The inhibition of hexokinase by compounds was measur...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein phosphatase PP1-alpha catalytic subunit(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM43838(4-O-[5-bromo-2-cyclopropyl-3-(4-methoxyphenyl)-7-m...)
Affinity DataIC50:  4.62E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM43838(4-O-[5-bromo-2-cyclopropyl-3-(4-methoxyphenyl)-7-m...)
Affinity DataIC50: >1.00E+5nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCaspase-9(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM43838(4-O-[5-bromo-2-cyclopropyl-3-(4-methoxyphenyl)-7-m...)
Affinity DataIC50:  1.67E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM43838(4-O-[5-bromo-2-cyclopropyl-3-(4-methoxyphenyl)-7-m...)
Affinity DataIC50:  2.20E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDNA repair protein RAD51 homolog 1(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM43838(4-O-[5-bromo-2-cyclopropyl-3-(4-methoxyphenyl)-7-m...)
Affinity DataIC50:  4.25E+4nMAssay Description:Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSerine/threonine-protein phosphatase(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM43838(4-O-[5-bromo-2-cyclopropyl-3-(4-methoxyphenyl)-7-m...)
Affinity DataIC50:  8.96E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay