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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM42532'   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM42532
PNG
(2-[1-[(Z)-1-(4-chlorobenzoyl)-2-(2-furyl)vinyl]-2-...)
Show SMILES Clc1ccc(cc1)C(=O)C(=C\c1ccco1)\N1C=CC=CC1=C(C#N)C#N |c:19,21|
Show InChI InChI=1S/C21H12ClN3O2/c22-17-8-6-15(7-9-17)21(26)20(12-18-4-3-11-27-18)25-10-2-1-5-19(25)16(13-23)14-24/h1-12H/b20-12-
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.64E+3n/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 (2009)


BindingDB Entry DOI: 10.7270/Q20C4T6J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM42532
PNG
(2-[1-[(Z)-1-(4-chlorobenzoyl)-2-(2-furyl)vinyl]-2-...)
Show SMILES Clc1ccc(cc1)C(=O)C(=C\c1ccco1)\N1C=CC=CC1=C(C#N)C#N |c:19,21|
Show InChI InChI=1S/C21H12ClN3O2/c22-17-8-6-15(7-9-17)21(26)20(12-18-4-3-11-27-18)25-10-2-1-5-19(25)16(13-23)14-24/h1-12H/b20-12-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.65E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair