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BDBM50178476 1-(3,3-diphenylpyrrolidin-1-yl)-6-(4-ethoxyphenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine::CHEMBL383739

SMILES: CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(N3CCC(C3)(c3ccccc3)c3ccccc3)c2c1C

InChI Key: InChIKey=BLPLDXJUNAJFNY-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50178476   
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-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178476
PNG
(1-(3,3-diphenylpyrrolidin-1-yl)-6-(4-ethoxyphenyl)...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(N3CCC(C3)(c3ccccc3)c3ccccc3)c2c1C
Show InChI InChI=1S/C33H34N4O/c1-5-38-29-18-16-28(17-19-29)37-24(3)30-23(2)34-35-32(31(30)25(37)4)36-21-20-33(22-36,26-12-8-6-9-13-26)27-14-10-7-11-15-27/h6-19H,5,20-22H2,1-4H3
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 153n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair