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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 = 'BDBM50027052'   
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


(Cavia porcellus (domestic guinea pig))
BDBM50027052
PNG
(CHEMBL2112473)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H41N3O2/c1-19(2)27(30-16-24-12-21-8-9-26(33)13-22(21)15-29-24)18-31-11-10-28(4,20(3)17-31)23-6-5-7-25(32)14-23/h5-9,13-14,19-20,24,27,29-30,32-33H,10-12,15-18H2,1-4H3/t20-,24+,27+,28+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.630n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027052
PNG
(CHEMBL2112473)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H41N3O2/c1-19(2)27(30-16-24-12-21-8-9-26(33)13-22(21)15-29-24)18-31-11-10-28(4,20(3)17-31)23-6-5-7-25(32)14-23/h5-9,13-14,19-20,24,27,29-30,32-33H,10-12,15-18H2,1-4H3/t20-,24+,27+,28+/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.80n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Opioid receptor kappa 1 using [3H]U-69593


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair