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SMILES: OC(=O)C1CCc2cc3OCCOc3cc2C1=O

InChI Key: InChIKey=TYPSGBZEHQQYFJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50371174   
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
Dehydrogenase/reductase SDR family member 9


(Rattus norvegicus)		BDBM50371174
PNG
(CHEMBL236236)
Show SMILES OC(=O)C1CCc2cc3OCCOc3cc2C1=O
Show InChI InChI=1S/C13H12O5/c14-12-8(13(15)16)2-1-7-5-10-11(6-9(7)12)18-4-3-17-10/h5-6,8H,1-4H2,(H,15,16)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver 3-alpha-HSD assessed as 5-beta-dihydrocortisone reduction

Bioorg Med Chem 15: 4876-90 (2007)


Article DOI: 10.1016/j.bmc.2007.04.050
BindingDB Entry DOI: 10.7270/Q2VH5PN7
More data for this
Ligand-Target Pair