new BindingDB logo
myBDB logout

BDBM50402474 CHEMBL2204027

SMILES: CC1(C)O[C@H]2N3[C@@H]1O[C@]1(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7O[C@@H]1[C@]4(CCN5CC1CC1)c67)[C@H]3OC2(C)C

InChI Key: InChIKey=VJGIRYDSNADFMS-AKTFNXMJSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50402474   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(MOUSE)
BDBM50402474
PNG
(CHEMBL2204027)
Show SMILES CC1(C)O[C@H]2N3[C@@H]1O[C@]1(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7O[C@@H]1[C@]4(CCN5CC1CC1)c67)[C@H]3OC2(C)C |r|
Show InChI InChI=1S/C29H38N2O6/c1-25(2)22-31-23(26(3,4)35-22)37-28(24(31)36-25)9-10-29(33)18-13-16-7-8-17(32)20-19(16)27(29,21(28)34-20)11-12-30(18)14-15-5-6-15/h7-8,15,18,21-24,32-33H,5-6,9-14H2,1-4H3/t18-,21-,22-,23-,24-,27+,28+,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.14n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain without cerebellum


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50402474
PNG
(CHEMBL2204027)
Show SMILES CC1(C)O[C@H]2N3[C@@H]1O[C@]1(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7O[C@@H]1[C@]4(CCN5CC1CC1)c67)[C@H]3OC2(C)C |r|
Show InChI InChI=1S/C29H38N2O6/c1-25(2)22-31-23(26(3,4)35-22)37-28(24(31)36-25)9-10-29(33)18-13-16-7-8-17(32)20-19(16)27(29,21(28)34-20)11-12-30(18)14-15-5-6-15/h7-8,15,18,21-24,32-33H,5-6,9-14H2,1-4H3/t18-,21-,22-,23-,24-,27+,28+,29-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.89n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50402474
PNG
(CHEMBL2204027)
Show SMILES CC1(C)O[C@H]2N3[C@@H]1O[C@]1(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7O[C@@H]1[C@]4(CCN5CC1CC1)c67)[C@H]3OC2(C)C |r|
Show InChI InChI=1S/C29H38N2O6/c1-25(2)22-31-23(26(3,4)35-22)37-28(24(31)36-25)9-10-29(33)18-13-16-7-8-17(32)20-19(16)27(29,21(28)34-20)11-12-30(18)14-15-5-6-15/h7-8,15,18,21-24,32-33H,5-6,9-14H2,1-4H3/t18-,21-,22-,23-,24-,27+,28+,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
71.8n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair