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BDBM50181364 2-Benzyloxy-N-[3-spiro(2,3-dihydro-1H-indene-1,4'-piperidine)-1-ylpropyl]benzamide::CHEMBL201805

SMILES: O=C(NCCCN1CCC2(CCc3ccccc23)CC1)c1ccccc1OCc1ccccc1

InChI Key: InChIKey=BZYCJZFLTTYKQH-UHFFFAOYSA-N

Data: 5 IC50  1 EC50

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 6 hits for monomerid = 50181364   
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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50181364
PNG
(2-Benzyloxy-N-[3-spiro(2,3-dihydro-1H-indene-1,4'-...)
Show SMILES O=C(NCCCN1CCC2(CCc3ccccc23)CC1)c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C30H34N2O2/c33-29(26-12-5-7-14-28(26)34-23-24-9-2-1-3-10-24)31-19-8-20-32-21-17-30(18-22-32)16-15-25-11-4-6-13-27(25)30/h1-7,9-14H,8,15-23H2,(H,31,33)
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n/an/a 110n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity on nociceptin-induced [35S]GTPgammaS binding to ORL1 expressed in CHO cells


J Med Chem 49: 847-9 (2006)


Article DOI: 10.1021/jm0509851
BindingDB Entry DOI: 10.7270/Q2DJ5F78
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50181364
PNG
(2-Benzyloxy-N-[3-spiro(2,3-dihydro-1H-indene-1,4'-...)
Show SMILES O=C(NCCCN1CCC2(CCc3ccccc23)CC1)c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C30H34N2O2/c33-29(26-12-5-7-14-28(26)34-23-24-9-2-1-3-10-24)31-19-8-20-32-21-17-30(18-22-32)16-15-25-11-4-6-13-27(25)30/h1-7,9-14H,8,15-23H2,(H,31,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from cloned human delta opioid receptor expressed in CHO cells


J Med Chem 49: 847-9 (2006)


Article DOI: 10.1021/jm0509851
BindingDB Entry DOI: 10.7270/Q2DJ5F78
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50181364
PNG
(2-Benzyloxy-N-[3-spiro(2,3-dihydro-1H-indene-1,4'-...)
Show SMILES O=C(NCCCN1CCC2(CCc3ccccc23)CC1)c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C30H34N2O2/c33-29(26-12-5-7-14-28(26)34-23-24-9-2-1-3-10-24)31-19-8-20-32-21-17-30(18-22-32)16-15-25-11-4-6-13-27(25)30/h1-7,9-14H,8,15-23H2,(H,31,33)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from cloned human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 847-9 (2006)


Article DOI: 10.1021/jm0509851
BindingDB Entry DOI: 10.7270/Q2DJ5F78
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50181364
PNG
(2-Benzyloxy-N-[3-spiro(2,3-dihydro-1H-indene-1,4'-...)
Show SMILES O=C(NCCCN1CCC2(CCc3ccccc23)CC1)c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C30H34N2O2/c33-29(26-12-5-7-14-28(26)34-23-24-9-2-1-3-10-24)31-19-8-20-32-21-17-30(18-22-32)16-15-25-11-4-6-13-27(25)30/h1-7,9-14H,8,15-23H2,(H,31,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphin from cloned human mu opioid receptor expressed in CHO cells


J Med Chem 49: 847-9 (2006)


Article DOI: 10.1021/jm0509851
BindingDB Entry DOI: 10.7270/Q2DJ5F78
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50181364
PNG
(2-Benzyloxy-N-[3-spiro(2,3-dihydro-1H-indene-1,4'-...)
Show SMILES O=C(NCCCN1CCC2(CCc3ccccc23)CC1)c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C30H34N2O2/c33-29(26-12-5-7-14-28(26)34-23-24-9-2-1-3-10-24)31-19-8-20-32-21-17-30(18-22-32)16-15-25-11-4-6-13-27(25)30/h1-7,9-14H,8,15-23H2,(H,31,33)
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n/an/a 83n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-nociceptin from cloned human ORL1 expressed in CHO cells


J Med Chem 49: 847-9 (2006)


Article DOI: 10.1021/jm0509851
BindingDB Entry DOI: 10.7270/Q2DJ5F78
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50181364
PNG
(2-Benzyloxy-N-[3-spiro(2,3-dihydro-1H-indene-1,4'-...)
Show SMILES O=C(NCCCN1CCC2(CCc3ccccc23)CC1)c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C30H34N2O2/c33-29(26-12-5-7-14-28(26)34-23-24-9-2-1-3-10-24)31-19-8-20-32-21-17-30(18-22-32)16-15-25-11-4-6-13-27(25)30/h1-7,9-14H,8,15-23H2,(H,31,33)
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PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Agonist activity on nociceptin-induced maximal [35S]GTP-gamma-S binding to ORL1 expressed in CHO cells


J Med Chem 49: 847-9 (2006)


Article DOI: 10.1021/jm0509851
BindingDB Entry DOI: 10.7270/Q2DJ5F78
More data for this
Ligand-Target Pair