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BDBM50240408 1-hexanecarboxylate::CH3-[CH2]5-COO(-)::enanthate::enanthylate::heptanoate::heptanoic acid, ion(1-)::heptoate::heptylate::n-heptanoate::n-heptoate::n-heptylate::oenanthate::oenanthylate

SMILES: CCCCCCC([O-])=O

InChI Key: InChIKey=MNWFXJYAOYHMED-UHFFFAOYSA-M

Data: 2 KI  6 ITC

PDB links: 3 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50240408   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Solute carrier family 22 member 20


(Mus musculus)
BDBM50240408
PNG
(1-hexanecarboxylate | CH3-[CH2]5-COO(-) | enanthat...)
Show SMILES CCCCCCC([O-])=O
Show InChI InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/p-1
KEGG

UniProtKB/SwissProt

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AffyNet 
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PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
8.20E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Mus musculus)
BDBM50240408
PNG
(1-hexanecarboxylate | CH3-[CH2]5-COO(-) | enanthat...)
Show SMILES CCCCCCC([O-])=O
Show InChI InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/p-1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
1.67E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)

More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 6 hits for monomerid = 50240408
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM11
JPEG
BDBM50240408
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
PDB
-3.39-3.810.4182.486.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM4
JPEG
BDBM50240408
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
PDB
-3.990.199-4.192.936.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM4
JPEG
BDBM50240408
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
PDB
-3.97-0.632-3.343.026.9014.5



NIH





Biophys J 71: 2144-54 (1996)

BDBM4
JPEG
BDBM50240408
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
PDB
-3.970.271-4.232.916.9025



NIH





Biophys J 71: 2144-54 (1996)

BDBM4
JPEG
BDBM50240408
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
PDB
-3.971.02-52.826.9035



NIH





Biophys J 71: 2144-54 (1996)

BDBM4
JPEG
BDBM50240408
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
PDB
-3.931.98-5.912.706.9045



NIH





Biophys J 71: 2144-54 (1996)