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BDBM50058154 7-(4'-Methoxy-2'-spiroindanyl)naltrexone::CHEMBL297933

SMILES: COc1cccc2CC3(Cc12)C[C@@]1(O)C2Cc4ccc(O)c5OC(C3=O)C1(CCN2CC1CC1)c45

InChI Key: InChIKey=CYGKSTHZZXBEKA-ZYRCJVDNSA-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 = 50058154   
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
Delta-type opioid receptor


(MOUSE)
BDBM50058154
PNG
(7-(4'-Methoxy-2'-spiroindanyl)naltrexone | CHEMBL2...)
Show SMILES COc1cccc2CC3(Cc12)C[C@@]1(O)C2Cc4ccc(O)c5OC(C3=O)C1(CCN2CC1CC1)c45 |TLB:30:29:12:34.16.15,21:34:12:29.27.28,13:12:34.16.15:29.27.28|
Show InChI InChI=1S/C29H31NO5/c1-34-21-4-2-3-18-12-27(13-19(18)21)15-29(33)22-11-17-7-8-20(31)24-23(17)28(29,26(35-24)25(27)32)9-10-30(22)14-16-5-6-16/h2-4,7-8,16,22,26,31,33H,5-6,9-15H2,1H3/t22?,26?,27?,28?,29-/m1/s1
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0280n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound tested for agonistic activity against Opioid receptor delta 1 using [3H]- NT1 as the radioligand.


J Med Chem 40: 1720-5 (1997)


Article DOI: 10.1021/jm9700880
BindingDB Entry DOI: 10.7270/Q2FB53M9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50058154
PNG
(7-(4'-Methoxy-2'-spiroindanyl)naltrexone | CHEMBL2...)
Show SMILES COc1cccc2CC3(Cc12)C[C@@]1(O)C2Cc4ccc(O)c5OC(C3=O)C1(CCN2CC1CC1)c45 |TLB:30:29:12:34.16.15,21:34:12:29.27.28,13:12:34.16.15:29.27.28|
Show InChI InChI=1S/C29H31NO5/c1-34-21-4-2-3-18-12-27(13-19(18)21)15-29(33)22-11-17-7-8-20(31)24-23(17)28(29,26(35-24)25(27)32)9-10-30(22)14-16-5-6-16/h2-4,7-8,16,22,26,31,33H,5-6,9-15H2,1H3/t22?,26?,27?,28?,29-/m1/s1
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.440n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound tested for agonistic activity against Opioid receptor mu 1 using [3H]- DAMGO as the radioligand.


J Med Chem 40: 1720-5 (1997)


Article DOI: 10.1021/jm9700880
BindingDB Entry DOI: 10.7270/Q2FB53M9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50058154
PNG
(7-(4'-Methoxy-2'-spiroindanyl)naltrexone | CHEMBL2...)
Show SMILES COc1cccc2CC3(Cc12)C[C@@]1(O)C2Cc4ccc(O)c5OC(C3=O)C1(CCN2CC1CC1)c45 |TLB:30:29:12:34.16.15,21:34:12:29.27.28,13:12:34.16.15:29.27.28|
Show InChI InChI=1S/C29H31NO5/c1-34-21-4-2-3-18-12-27(13-19(18)21)15-29(33)22-11-17-7-8-20(31)24-23(17)28(29,26(35-24)25(27)32)9-10-30(22)14-16-5-6-16/h2-4,7-8,16,22,26,31,33H,5-6,9-15H2,1H3/t22?,26?,27?,28?,29-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>3.00E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound tested for agonistic activity against Opioid receptor kappa 1 using [3H]U-69,594 as the radioligand.


J Med Chem 40: 1720-5 (1997)


Article DOI: 10.1021/jm9700880
BindingDB Entry DOI: 10.7270/Q2FB53M9
More data for this
Ligand-Target Pair