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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 = 'BDBM75587'   
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))
BDBM75587
PNG
(KSC-16-61 | KUC105608N | cid_45479166)
Show SMILES COc1ccc(cc1)N1CCN(CCNC(=O)Cn2c3nccc(C)c3n3cccc3c2=O)CC1
Show InChI InChI=1S/C26H30N6O3/c1-19-9-10-28-25-24(19)31-12-3-4-22(31)26(34)32(25)18-23(33)27-11-13-29-14-16-30(17-15-29)20-5-7-21(35-2)8-6-20/h3-10,12H,11,13-18H2,1-2H3,(H,27,33)
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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.41E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM75587
PNG
(KSC-16-61 | KUC105608N | cid_45479166)
Show SMILES COc1ccc(cc1)N1CCN(CCNC(=O)Cn2c3nccc(C)c3n3cccc3c2=O)CC1
Show InChI InChI=1S/C26H30N6O3/c1-19-9-10-28-25-24(19)31-12-3-4-22(31)26(34)32(25)18-23(33)27-11-13-29-14-16-30(17-15-29)20-5-7-21(35-2)8-6-20/h3-10,12H,11,13-18H2,1-2H3,(H,27,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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/Q2028Q01
More data for this
Ligand-Target Pair