new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50076009'   
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))
BDBM50076009
PNG
(16-[1-hydroxy-1,2,2-trimethyl-(1R)-propyl]-15-meth...)
Show SMILES CO[C@@]12CCC3(C[C@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45 |TLB:29:28:5:30.17.16|
Show InChI InChI=1S/C26H37NO4/c1-22(2,3)23(4,29)17-14-24-9-10-26(17,30-6)21-25(24)11-12-27(5)18(24)13-15-7-8-16(28)20(31-21)19(15)25/h7-8,17-18,21,28-29H,9-14H2,1-6H3/t17-,18+,21+,23+,24?,25?,26-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.40n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL




Bioorg Med Chem Lett 9: 831-4 (1999)


BindingDB Entry DOI: 10.7270/Q2FT8MJK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50076009
PNG
(16-[1-hydroxy-1,2,2-trimethyl-(1R)-propyl]-15-meth...)
Show SMILES CO[C@@]12CCC3(C[C@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45 |TLB:29:28:5:30.17.16|
Show InChI InChI=1S/C26H37NO4/c1-22(2,3)23(4,29)17-14-24-9-10-26(17,30-6)21-25(24)11-12-27(5)18(24)13-15-7-8-16(28)20(31-21)19(15)25/h7-8,17-18,21,28-29H,9-14H2,1-6H3/t17-,18+,21+,23+,24?,25?,26-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 2.40n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Activity was evaluated in human kappa opioid receptors transfected with CHO cells by [35S]GTP-gamma-S, assay


Bioorg Med Chem Lett 9: 831-4 (1999)


BindingDB Entry DOI: 10.7270/Q2FT8MJK
More data for this
Ligand-Target Pair