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BDBM50293437 3-Phenylcyclopentanecarboxylic acid::CHEMBL554283

SMILES: OC(=O)C1CCC(C1)c1ccccc1

InChI Key: InChIKey=IWOLSKRVZNXDNU-UHFFFAOYSA-N

Data: 2 KI  1 IC50

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 3 hits for monomerid = 50293437   
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
Aldo-keto reductase family 1 member C1


(Homo sapiens (human))
BDBM50293437
PNG
(3-Phenylcyclopentanecarboxylic acid | CHEMBL554283)
Show SMILES OC(=O)C1CCC(C1)c1ccccc1
Show InChI InChI=1S/C12H14O2/c13-12(14)11-7-6-10(8-11)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,13,14)
PDB
MMDB

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Article
PubMed
4.85E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged AKR1C1 expressed in Escherichia coli BL21


Eur J Med Chem 44: 2563-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.028
BindingDB Entry DOI: 10.7270/Q2319VW9
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50293437
PNG
(3-Phenylcyclopentanecarboxylic acid | CHEMBL554283)
Show SMILES OC(=O)C1CCC(C1)c1ccccc1
Show InChI InChI=1S/C12H14O2/c13-12(14)11-7-6-10(8-11)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
6.96E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged AKR1C3 expressed in Escherichia coli BL21


Eur J Med Chem 44: 2563-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.028
BindingDB Entry DOI: 10.7270/Q2319VW9
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C1


(Homo sapiens (human))
BDBM50293437
PNG
(3-Phenylcyclopentanecarboxylic acid | CHEMBL554283)
Show SMILES OC(=O)C1CCC(C1)c1ccccc1
Show InChI InChI=1S/C12H14O2/c13-12(14)11-7-6-10(8-11)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 9.86E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged AKR1C1 expressed in Escherichia coli BL21


Eur J Med Chem 44: 2563-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.028
BindingDB Entry DOI: 10.7270/Q2319VW9
More data for this
Ligand-Target Pair