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SMILES: FC(F)(F)c1cccc(CN2C[C@@H]3CC[C@H](NC(=O)C(C4CCCCC4)C4CCCCC4)[C@@H]3C2)c1

InChI Key: InChIKey=FJAOHSBTUVUJTC-DMDYGQEQSA-N

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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 2 hits for monomerid = 50386813   
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
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50386813
PNG
(CHEMBL2047726)
Show SMILES FC(F)(F)c1cccc(CN2C[C@@H]3CC[C@H](NC(=O)C(C4CCCCC4)C4CCCCC4)[C@@H]3C2)c1 |r|
Show InChI InChI=1S/C29H41F3N2O/c30-29(31,32)24-13-7-8-20(16-24)17-34-18-23-14-15-26(25(23)19-34)33-28(35)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h7-8,13,16,21-23,25-27H,1-6,9-12,14-15,17-19H2,(H,33,35)/t23-,25+,26-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40.7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat Cav2.2 expressed in HEK293 cells under inactivating depolarizing conditions at holding potential of -115mV and stepped to 0 mV once...


Bioorg Med Chem 20: 4128-39 (2012)


Article DOI: 10.1016/j.bmc.2012.04.057
BindingDB Entry DOI: 10.7270/Q2TQ62JK
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50386813
PNG
(CHEMBL2047726)
Show SMILES FC(F)(F)c1cccc(CN2C[C@@H]3CC[C@H](NC(=O)C(C4CCCCC4)C4CCCCC4)[C@@H]3C2)c1 |r|
Show InChI InChI=1S/C29H41F3N2O/c30-29(31,32)24-13-7-8-20(16-24)17-34-18-23-14-15-26(25(23)19-34)33-28(35)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h7-8,13,16,21-23,25-27H,1-6,9-12,14-15,17-19H2,(H,33,35)/t23-,25+,26-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 41n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat Cav2.2 expressed in HEK293 cells under inactivating depolarizing conditions at holding potential of -115mV and stepped to 0 mV once...


Bioorg Med Chem 20: 4128-39 (2012)


Article DOI: 10.1016/j.bmc.2012.04.057
BindingDB Entry DOI: 10.7270/Q2TQ62JK
More data for this
Ligand-Target Pair