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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 = 'BDBM62199'   
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))
BDBM62199
PNG
((phenylmethyl) N-[2,2,2-tris(chloranyl)-1-(phenylc...)
Show SMILES ClC(Cl)(Cl)C(NC(=O)OCc1ccccc1)NC(=S)Nc1ccccc1
Show InChI InChI=1S/C17H16Cl3N3O2S/c18-17(19,20)14(22-15(26)21-13-9-5-2-6-10-13)23-16(24)25-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,23,24)(H2,21,22,26)
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))
BDBM62199
PNG
((phenylmethyl) N-[2,2,2-tris(chloranyl)-1-(phenylc...)
Show SMILES ClC(Cl)(Cl)C(NC(=O)OCc1ccccc1)NC(=S)Nc1ccccc1
Show InChI InChI=1S/C17H16Cl3N3O2S/c18-17(19,20)14(22-15(26)21-13-9-5-2-6-10-13)23-16(24)25-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,23,24)(H2,21,22,26)
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