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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Anoctamin-1' and Ligand = 'BDBM50239433'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Anoctamin-1


(Homo sapiens (Human))
BDBM50239433
PNG
(CHEMBL3134585)
Show SMILES FC(F)(F)C(=O)Nc1sc2CCCCCc2c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H17F3N2O2S/c19-18(20,21)17(25)23-16-14(12-9-5-2-6-10-13(12)26-16)15(24)22-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,22,24)(H,23,25)
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A expressed in FRT cells assessed as reduction of ATP-induced in chloride conductance preincubated for 5 mins followed by A...


J Med Chem 60: 4626-4635 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00020
BindingDB Entry DOI: 10.7270/Q2FT8P5G
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239433
PNG
(CHEMBL3134585)
Show SMILES FC(F)(F)C(=O)Nc1sc2CCCCCc2c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H17F3N2O2S/c19-18(20,21)17(25)23-16-14(12-9-5-2-6-10-13(12)26-16)15(24)22-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,22,24)(H,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A expressed in FRT cells co-expressing iodide sensitive fluorescent protein YFP-H148Q/I152L/F46L assessed as reduction in A...


J Med Chem 60: 4626-4635 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00020
BindingDB Entry DOI: 10.7270/Q2FT8P5G
More data for this
Ligand-Target Pair