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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM62198'   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM62198
PNG
((phenylmethyl) N-[2,2,2-tris(chloranyl)-1-[(4-fluo...)
Show SMILES Fc1ccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)cc1
Show InChI InChI=1S/C17H15Cl3FN3O2S/c18-17(19,20)14(23-15(27)22-13-8-6-12(21)7-9-13)24-16(25)26-10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,24,25)(H2,22,23,27)
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KEGG

UniProtKB/SwissProt

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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/Q28K77JP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM62198
PNG
((phenylmethyl) N-[2,2,2-tris(chloranyl)-1-[(4-fluo...)
Show SMILES Fc1ccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)cc1
Show InChI InChI=1S/C17H15Cl3FN3O2S/c18-17(19,20)14(23-15(27)22-13-8-6-12(21)7-9-13)24-16(25)26-10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,24,25)(H2,22,23,27)
PDB

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/Q2125R3Z
More data for this
Ligand-Target Pair