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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM62179'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM62179
PNG
(1-(4-chlorophenyl)-2-[[4-(2-furanylmethyl)-5-(2-py...)
Show SMILES Clc1ccc(cc1)C(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1
Show InChI InChI=1S/C20H15ClN4O2S/c21-15-8-6-14(7-9-15)18(26)13-28-20-24-23-19(17-5-1-2-10-22-17)25(20)12-16-4-3-11-27-16/h1-11H,12-13H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2G44NRK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM62179
PNG
(1-(4-chlorophenyl)-2-[[4-(2-furanylmethyl)-5-(2-py...)
Show SMILES Clc1ccc(cc1)C(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1
Show InChI InChI=1S/C20H15ClN4O2S/c21-15-8-6-14(7-9-15)18(26)13-28-20-24-23-19(17-5-1-2-10-22-17)25(20)12-16-4-3-11-27-16/h1-11H,12-13H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2NS0SBF
More data for this
Ligand-Target Pair