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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM46212'   
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))
BDBM46212
PNG
(2-[2-chloranyl-6-methoxy-4-[(Z)-[3-[2-[(4-methylph...)
Show SMILES COc1cc(\C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Cl)c1OCC(O)=O
Show InChI InChI=1S/C22H19ClN2O7S/c1-12-3-5-14(6-4-12)24-18(26)10-25-21(29)17(33-22(25)30)9-13-7-15(23)20(16(8-13)31-2)32-11-19(27)28/h3-9H,10-11H2,1-2H3,(H,24,26)(H,27,28)/b17-9-
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 6.24E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2QN656Q
More data for this
Ligand-Target Pair