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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 = 'BDBM50027233'   
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))
BDBM50027233
PNG
(Salvinicin B)
Show SMILES [H][C@@]1(CC(=O)[C@]2([H])CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@]3([H])[C@@]2(C)C1)C(=O)OC)[C@@]1(O)[C@H](O)[C@H](OC)O[C@@H]1OC |r|
Show InChI InChI=1S/C26H38O11/c1-12(27)36-17-10-15(21(31)33-4)24(2)8-7-14-16(28)9-13(11-25(14,3)19(24)18(17)29)26(32)20(30)22(34-5)37-23(26)35-6/h13-15,17,19-20,22-23,30,32H,7-11H2,1-6H3/t13-,14-,15-,17-,19-,20+,22+,23-,24-,25-,26+/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.90E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at kappa opioid receptor by [35S]GTPgammaS binding assay


J Nat Prod 72: 581-7 (2009)


Article DOI: 10.1021/np8005748
BindingDB Entry DOI: 10.7270/Q26976CN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027233
PNG
(Salvinicin B)
Show SMILES [H][C@@]1(CC(=O)[C@]2([H])CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@]3([H])[C@@]2(C)C1)C(=O)OC)[C@@]1(O)[C@H](O)[C@H](OC)O[C@@H]1OC |r|
Show InChI InChI=1S/C26H38O11/c1-12(27)36-17-10-15(21(31)33-4)24(2)8-7-14-16(28)9-13(11-25(14,3)19(24)18(17)29)26(32)20(30)22(34-5)37-23(26)35-6/h13-15,17,19-20,22-23,30,32H,7-11H2,1-6H3/t13-,14-,15-,17-,19-,20+,22+,23-,24-,25-,26+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.02E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
BindingDB Entry DOI: 10.7270/Q2ZK5HH0
More data for this
Ligand-Target Pair