BindingDB logo
myBDB logout

null

SMILES: [#6]-[#7](-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1cccc2cccnc12

InChI Key: InChIKey=RABWPAKZZQQZIZ-UHFFFAOYSA-N

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 2 hits for monomerid = 50363344   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50363344
PNG
(CHEMBL1946029)
Show SMILES [#6]-[#7](-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1cccc2cccnc12
Show InChI InChI=1S/C28H28N4OS/c1-31(2)28(33)23-10-8-20(9-11-23)26(25-7-3-5-22-6-4-14-29-27(22)25)21-12-15-32(16-13-21)17-24-18-34-19-30-24/h3-11,14,18-19H,12-13,15-17H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 350n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled FK33-824 from mu opioid receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 22: 1174-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50363344
PNG
(CHEMBL1946029)
Show SMILES [#6]-[#7](-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1cccc2cccnc12
Show InChI InChI=1S/C28H28N4OS/c1-31(2)28(33)23-10-8-20(9-11-23)26(25-7-3-5-22-6-4-14-29-27(22)25)21-12-15-32(16-13-21)17-24-18-34-19-30-24/h3-11,14,18-19H,12-13,15-17H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.170n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 22: 1174-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ
More data for this
Ligand-Target Pair