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BDBM50105060 1-[1-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-piperidin-4-yl]-3,4-dihydro-1H-quinoxalin-2-one::CHEMBL325842

SMILES: Clc1cc2OCOc2cc1CN1CCC(CC1)N1C(=O)CNc2ccccc12

InChI Key: InChIKey=HRTSHEXHTVTUIT-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50105060   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50105060
PNG
(1-[1-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-piperi...)
Show SMILES Clc1cc2OCOc2cc1CN1CCC(CC1)N1C(=O)CNc2ccccc12
Show InChI InChI=1S/C21H22ClN3O3/c22-16-10-20-19(27-13-28-20)9-14(16)12-24-7-5-15(6-8-24)25-18-4-2-1-3-17(18)23-11-21(25)26/h1-4,9-10,15,23H,5-8,11-13H2
PDB

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PC cid
PC sid
UniChem
PubMed
n/an/a 620n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Binding affinity against delta-opiate receptor (human) using [3H]-DPDPE radioligand


J Med Chem 44: 3378-90 (2001)


BindingDB Entry DOI: 10.7270/Q23X87B8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50105060
PNG
(1-[1-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-piperi...)
Show SMILES Clc1cc2OCOc2cc1CN1CCC(CC1)N1C(=O)CNc2ccccc12
Show InChI InChI=1S/C21H22ClN3O3/c22-16-10-20-19(27-13-28-20)9-14(16)12-24-7-5-15(6-8-24)25-18-4-2-1-3-17(18)23-11-21(25)26/h1-4,9-10,15,23H,5-8,11-13H2
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n/an/a 32n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa 1 using [3H]- U-69,593 radioligand


J Med Chem 44: 3378-90 (2001)


BindingDB Entry DOI: 10.7270/Q23X87B8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50105060
PNG
(1-[1-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-piperi...)
Show SMILES Clc1cc2OCOc2cc1CN1CCC(CC1)N1C(=O)CNc2ccccc12
Show InChI InChI=1S/C21H22ClN3O3/c22-16-10-20-19(27-13-28-20)9-14(16)12-24-7-5-15(6-8-24)25-18-4-2-1-3-17(18)23-11-21(25)26/h1-4,9-10,15,23H,5-8,11-13H2
PDB

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n/an/a 6.30n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Binding affinity against mu-opiate receptor (human) using [3H]DAMGO radioligand


J Med Chem 44: 3378-90 (2001)


BindingDB Entry DOI: 10.7270/Q23X87B8
More data for this
Ligand-Target Pair