BDBM16417 (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid::2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid::N-Phthaloylglycine::N-Phthalylglycine

SMILES OC(=O)CN1C(=O)c2ccccc2C1=O

InChI Key InChIKey=WQINSVOOIJDOLJ-UHFFFAOYSA-N

Data  5 KI

PDB links: 1 PDB ID matches this monomer.

  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 5 hits for monomerid = 16417   

TargetCarbonic anhydrase 12(Homo sapiens (Human))
University Of Chieti-Pescara

Curated by ChEMBL
LigandPNGBDBM16417((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic aci...)
Affinity DataKi:  4.30nMAssay Description:Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
University Of Chieti-Pescara

Curated by ChEMBL
LigandPNGBDBM16417((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic aci...)
Affinity DataKi:  223nMAssay Description:Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Medical College Of Wiscosin

LigandPNGBDBM16417((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic aci...)
Affinity DataKi:  1.50E+3nM ΔG°:  -7.94kcal/molepH: 7.0 T: 2°CAssay Description:The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
University Of Chieti-Pescara

Curated by ChEMBL
LigandPNGBDBM16417((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic aci...)
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
University Of Chieti-Pescara

Curated by ChEMBL
LigandPNGBDBM16417((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic aci...)
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed