BindingDB logo
myBDB logout

BDBM50178469 1-(2,6-dimethylmorpholino)-6-(4-ethoxyphenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine::CHEMBL382904

SMILES: CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(N3CC(C)OC(C)C3)c2c1C

InChI Key: InChIKey=MKQOBUSLJOMKNU-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50178469   
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))
BDBM50178469
PNG
(1-(2,6-dimethylmorpholino)-6-(4-ethoxyphenyl)-4,5,...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(N3CC(C)OC(C)C3)c2c1C
Show InChI InChI=1S/C23H30N4O2/c1-7-28-20-10-8-19(9-11-20)27-17(5)21-16(4)24-25-23(22(21)18(27)6)26-12-14(2)29-15(3)13-26/h8-11,14-15H,7,12-13H2,1-6H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+3n/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