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BDBM50060998 3-Phenoxy-benzoic acid::3-phenoxybenzoic acid::CHEMBL663::M-Phenoxybenzoic Acid For Cis-Isomer

SMILES: OC(=O)c1cccc(Oc2ccccc2)c1

InChI Key: InChIKey=NXTDJHZGHOFSQG-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

PDB links: 2 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 = 50060998   
Target
(Institution)
LigandTarget
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
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50060998
PNG
(3-Phenoxy-benzoic acid | 3-phenoxybenzoic acid | C...)
Show SMILES OC(=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15)
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
Article
PubMed
n/an/a 680n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AKR1C3


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human papillomavirus regulatory protein E2


(Human papillomavirus type 16)
BDBM50060998
PNG
(3-Phenoxy-benzoic acid | 3-phenoxybenzoic acid | C...)
Show SMILES OC(=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15)
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/an/a>1.00E+7n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Dissociation constant after binding to human papillomavirus E2 DNA-binding domain (DBD) by observing the changes in [15N]-HSQC spectra.


Citation and Details
More data for this
Ligand-Target Pair