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SMILES: Cc1c(OCC2CCC2)ccc2c(C)c(CC(O)=O)c(=O)oc12

InChI Key: InChIKey=QXFFKLIVOCUSTH-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50519169   
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
Chloride anion exchanger


(Mus musculus)		BDBM50519169
PNG
(CHEMBL4441522)
Show SMILES Cc1c(OCC2CCC2)ccc2c(C)c(CC(O)=O)c(=O)oc12
Show InChI InChI=1S/C18H20O5/c1-10-13-6-7-15(22-9-12-4-3-5-12)11(2)17(13)23-18(21)14(10)8-16(19)20/h6-7,12H,3-5,8-9H2,1-2H3,(H,19,20)
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse slc26a3 expressed in FRT cells co-expressing EYFP-H148Q/I152L/F46L assessed as reduction in protein-mediated chloride/iodide exch...

J Med Chem 62: 8330-8337 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01192
BindingDB Entry DOI: 10.7270/Q2NG4V1N
More data for this
Ligand-Target Pair