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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'mu/kappa opioid receptor' and Ligand = 'BDBM50000796'   
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
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50000796
PNG
(4-cyclopropylmethyl-10-hydroxy-14-(4-methylene-5-o...)
Show SMILES CC(=O)O[C@]12CC[C@@H](OC[C@@H]3CC(=C)C(=O)O3)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O
Show InChI InChI=1S/C28H33NO7/c1-15-11-19(34-26(15)32)14-33-21-7-8-28(36-16(2)30)22-12-18-5-6-20(31)24-23(18)27(28,25(21)35-24)9-10-29(22)13-17-3-4-17/h5-6,17,19,21-22,25,31H,1,3-4,7-14H2,2H3/t19-,21+,22+,25-,27-,28+/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
inhibition of 1.0 nM [3H]- DAGO binding to guinea pig brain membrane opioid receptor mu


J Med Chem 35: 2374-84 (1992)


Article DOI: 10.1021/jm00091a005
BindingDB Entry DOI: 10.7270/Q2GH9JKS
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000796
PNG
(4-cyclopropylmethyl-10-hydroxy-14-(4-methylene-5-o...)
Show SMILES CC(=O)O[C@]12CC[C@@H](OC[C@@H]3CC(=C)C(=O)O3)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O
Show InChI InChI=1S/C28H33NO7/c1-15-11-19(34-26(15)32)14-33-21-7-8-28(36-16(2)30)22-12-18-5-6-20(31)24-23(18)27(28,25(21)35-24)9-10-29(22)13-17-3-4-17/h5-6,17,19,21-22,25,31H,1,3-4,7-14H2,2H3/t19-,21+,22+,25-,27-,28+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Displacement of 0.5 nM [3H]bremazocine from guinea pig brain membrane opioid receptor kappa with 100 nM DAGO and 100 nM DPDPE


J Med Chem 35: 2374-84 (1992)


Article DOI: 10.1021/jm00091a005
BindingDB Entry DOI: 10.7270/Q2GH9JKS
More data for this
Ligand-Target Pair