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/Host (Institution)	Ligand	Target/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	pH	Temp °C
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) (Homo sapiens (Human))	BDBM50060998 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant human AKR1C3				Bioorg Med Chem Lett 15: 5170-5 (2005) Article DOI: 10.1016/j.bmcl.2005.08.063 BindingDB Entry DOI: 10.7270/Q27D2VX4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Human papillomavirus regulatory protein E2 (Human papillomavirus type 16)	BDBM50060998 (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 KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/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.				J Med Chem 40: 3144-50 (1997) Article DOI: 10.1021/jm9703404 BindingDB Entry DOI: 10.7270/Q2MG7NN2
					More data for this Ligand-Target Pair