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BDBM26930 8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-3-propyl-1,3,8-triazaspiro[4.5]decan-4-one::spiropiperidine analogue, 51

SMILES: CCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O

InChI Key: InChIKey=JNSDWRYEOZHWLE-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 26930   
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))
BDBM26930
PNG
(8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES CCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
Show InChI InChI=1S/C28H37N3O/c1-4-18-30-21-31(22-10-6-5-7-11-22)28(26(30)32)16-19-29(20-17-28)25-14-15-27(2,3)24-13-9-8-12-23(24)25/h5-13,25H,4,14-21H2,1-3H3
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Article
PubMed
5.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM26930
PNG
(8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES CCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
Show InChI InChI=1S/C28H37N3O/c1-4-18-30-21-31(22-10-6-5-7-11-22)28(26(30)32)16-19-29(20-17-28)25-14-15-27(2,3)24-13-9-8-12-23(24)25/h5-13,25H,4,14-21H2,1-3H3
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Article
PubMed
142n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM26930
PNG
(8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES CCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
Show InChI InChI=1S/C28H37N3O/c1-4-18-30-21-31(22-10-6-5-7-11-22)28(26(30)32)16-19-29(20-17-28)25-14-15-27(2,3)24-13-9-8-12-23(24)25/h5-13,25H,4,14-21H2,1-3H3
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PubMed
1.39E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM26930
PNG
(8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES CCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
Show InChI InChI=1S/C28H37N3O/c1-4-18-30-21-31(22-10-6-5-7-11-22)28(26(30)32)16-19-29(20-17-28)25-14-15-27(2,3)24-13-9-8-12-23(24)25/h5-13,25H,4,14-21H2,1-3H3
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Article
PubMed
3.10E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair