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BDBM50101964 CHEMBL3436047

SMILES: [I-].CCCC[N+]1(CCCC(=O)c2ccc(F)cc2)CCC(O)(CC1)c1ccc(Cl)cc1

InChI Key: InChIKey=JZOLZUFLPKVJDH-UHFFFAOYSA-M

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50101964   
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
Calcium channel


(RAT)
BDBM50101964
PNG
(CHEMBL3436047)
Show SMILES [I-].CCCC[N+]1(CCCC(=O)c2ccc(F)cc2)CCC(O)(CC1)c1ccc(Cl)cc1 |(13.62,,;-.15,5.21,;-.68,3.76,;.31,2.58,;-.22,1.14,;.77,-.04,;-.56,-.81,;-1.89,-.04,;-3.23,-.81,;-4.56,-.04,;-4.56,1.5,;-5.9,-.81,;-5.9,-2.35,;-7.23,-3.12,;-8.56,-2.35,;-9.9,-3.12,;-8.56,-.81,;-7.23,-.04,;1.76,1.14,;3.28,.87,;3.81,-.58,;5.02,-1.53,;2.82,-1.76,;1.3,-1.49,;5.27,-.1,;5.59,1.4,;7.06,1.88,;8.2,.85,;9.66,1.32,;7.88,-.66,;6.41,-1.13,)|
Show InChI InChI=1S/C25H32ClFNO2.HI/c1-2-3-16-28(17-4-5-24(29)20-6-12-23(27)13-7-20)18-14-25(30,15-19-28)21-8-10-22(26)11-9-21;/h6-13,30H,2-5,14-19H2,1H3;1H/q+1;/p-1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes


J Appl Toxicol 32: 858-66 (2012)


Article DOI: 10.1002/jat.2784
BindingDB Entry DOI: 10.7270/Q2D79D5C
More data for this
Ligand-Target Pair