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: 32 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 16433   

TargetAldo-keto reductase family 1 member B1(Human)
Università

Curated by ChEMBL
LigandPNGBDBM16433(CHEMBL14184 | Caproic acid | n-Caproic acid | Hexa...)
Affinity DataIC50: 6.82E+4nMAssay Description:Inhibition of aldose reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetSolute carrier family 22 member 20(Mouse)
University of California

Curated by ChEMBL
LigandPNGBDBM16433(CHEMBL14184 | Caproic acid | n-Caproic acid | Hexa...)
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 Article
PubMed
TargetSolute carrier family 22 member 6(Mouse)
University of California

Curated by ChEMBL
LigandPNGBDBM16433(CHEMBL14184 | Caproic acid | n-Caproic acid | Hexa...)
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 Article
PubMed
TargetAldo-keto reductase family 1 member B1(Human)
Università

Curated by ChEMBL
LigandPNGBDBM16433(CHEMBL14184 | Caproic acid | n-Caproic acid | Hexa...)
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
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)