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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with all data for assayid = 10 entry = 50002020   
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
Voltage-dependent T-type calcium channel subunit alpha-1I


(Rattus norvegicus)		BDBM50452245
PNG
(Act-709478)
Show SMILES FC(F)(F)C1(CC1)c1ccc(CC(=O)Nc2ccn(Cc3ccc(cn3)C#N)n2)cc1
Show InChI InChI=1S/C22H18F3N5O/c23-22(24,25)21(8-9-21)17-4-1-15(2-5-17)11-20(31)28-19-7-10-30(29-19)14-18-6-3-16(12-26)13-27-18/h1-7,10,13H,8-9,11,14H2,(H,28,29,31)
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Cav3.3 in rat assessed as decrease in calcium flux preincubated for 3 mins followed by CaCl2 addition by Fluo-4-AM dye-based FLIPR assa...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair