BDBM16433 CHEMBL14184::Caproic acid::Hexanoic acid::n-Caproic acid

SMILES CCCCCC(O)=O

InChI Key InChIKey=FUZZWVXGSFPDMH-UHFFFAOYSA-N

Data  3 KI  1 IC50

PDB links: 28 PDB IDs match 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 4 hits for monomerid = 16433   

TargetSolute carrier family 22 member 20(Mus musculus)
University Of California

Curated by ChEMBL
LigandPNGBDBM16433(CHEMBL14184 | Caproic acid | Hexanoic acid | n-Cap...)
Affinity DataKi:  9.12E+3nMAssay Description:Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hrMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 6(Mus musculus)
University Of California

Curated by ChEMBL
LigandPNGBDBM16433(CHEMBL14184 | Caproic acid | Hexanoic acid | n-Cap...)
Affinity DataKi:  3.72E+4nMAssay Description:Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hrMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Medical College Of Wiscosin

LigandPNGBDBM16433(CHEMBL14184 | Caproic acid | Hexanoic acid | n-Cap...)
Affinity DataKi:  6.86E+4nM ΔG°:  -5.68kcal/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
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Medical College Of Wiscosin

LigandPNGBDBM16433(CHEMBL14184 | Caproic acid | Hexanoic acid | n-Cap...)
Affinity DataIC50:  6.82E+4nMAssay Description:Inhibition of aldose reductaseMore data for this Ligand-Target Pair