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BDBM50105773 17-(2-methylallyl)-substituted noroxymorphone derivative::CHEMBL95408

SMILES: COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)c1oc2ccccc2c1C[C@@]35O

InChI Key: InChIKey=LAVVYFYZWOMWFT-NNMXSAHVSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50105773   
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


(Homo sapiens (Human))
BDBM50105773
PNG
(17-(2-methylallyl)-substituted noroxymorphone deri...)
Show SMILES COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)c1oc2ccccc2c1C[C@@]35O
Show InChI InChI=1S/C27H27NO4/c1-15(2)14-28-11-10-26-22-16-8-9-20(30-3)24(22)32-25(26)23-18(13-27(26,29)21(28)12-16)17-6-4-5-7-19(17)31-23/h4-9,21,25,29H,1,10-14H2,2-3H3/t21?,25-,26?,27+/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
44n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from Opioid receptor delta 1


Bioorg Med Chem Lett 11: 2883-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00580-7
BindingDB Entry DOI: 10.7270/Q2D79BZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50105773
PNG
(17-(2-methylallyl)-substituted noroxymorphone deri...)
Show SMILES COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)c1oc2ccccc2c1C[C@@]35O
Show InChI InChI=1S/C27H27NO4/c1-15(2)14-28-11-10-26-22-16-8-9-20(30-3)24(22)32-25(26)23-18(13-27(26,29)21(28)12-16)17-6-4-5-7-19(17)31-23/h4-9,21,25,29H,1,10-14H2,2-3H3/t21?,25-,26?,27+/m0/s1
PDB

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Article
PubMed
>6.00E+3n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Opioid receptor mu 1


Bioorg Med Chem Lett 11: 2883-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00580-7
BindingDB Entry DOI: 10.7270/Q2D79BZV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50105773
PNG
(17-(2-methylallyl)-substituted noroxymorphone deri...)
Show SMILES COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)c1oc2ccccc2c1C[C@@]35O
Show InChI InChI=1S/C27H27NO4/c1-15(2)14-28-11-10-26-22-16-8-9-20(30-3)24(22)32-25(26)23-18(13-27(26,29)21(28)12-16)17-6-4-5-7-19(17)31-23/h4-9,21,25,29H,1,10-14H2,2-3H3/t21?,25-,26?,27+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from Opioid receptor kappa 1


Bioorg Med Chem Lett 11: 2883-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00580-7
BindingDB Entry DOI: 10.7270/Q2D79BZV
More data for this
Ligand-Target Pair