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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 = 'BDBM50166636'   
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))
BDBM50166636
PNG
(CHEMBL370538 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C27H33N3O4S2/c1-29(26(23-6-3-2-4-7-23)19-30-14-13-24(31)18-30)27(32)16-21-9-11-22(12-10-21)17-28-36(33,34)20-25-8-5-15-35-25/h2-12,15,24,26,28,31H,13-14,16-20H2,1H3/t24-,26+/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
2.80n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50166636
PNG
(CHEMBL370538 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C27H33N3O4S2/c1-29(26(23-6-3-2-4-7-23)19-30-14-13-24(31)18-30)27(32)16-21-9-11-22(12-10-21)17-28-36(33,34)20-25-8-5-15-35-25/h2-12,15,24,26,28,31H,13-14,16-20H2,1H3/t24-,26+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.80n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity assessed by ability to stimulate [35S]GTP gammaS binding to opioid receptor kappa in human membranes


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair