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BDBM26910 8-[bis(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one::spiropiperidine analogue, 31

SMILES: CN(C)CCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O

InChI Key: InChIKey=KTAGYIIOIMNXTN-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 26910   
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))
BDBM26910
PNG
(8-[bis(2-chlorophenyl)methyl]-3-[2-(dimethylamino)...)
Show SMILES CN(C)CCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
Show InChI InChI=1S/C30H34Cl2N4O/c1-33(2)20-21-35-22-36(23-10-4-3-5-11-23)30(29(35)37)16-18-34(19-17-30)28(24-12-6-8-14-26(24)31)25-13-7-9-15-27(25)32/h3-15,28H,16-22H2,1-2H3
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Article
PubMed
3.5 -11.4n/an/an/an/an/a7.422



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))
BDBM26910
PNG
(8-[bis(2-chlorophenyl)methyl]-3-[2-(dimethylamino)...)
Show SMILES CN(C)CCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
Show InChI InChI=1S/C30H34Cl2N4O/c1-33(2)20-21-35-22-36(23-10-4-3-5-11-23)30(29(35)37)16-18-34(19-17-30)28(24-12-6-8-14-26(24)31)25-13-7-9-15-27(25)32/h3-15,28H,16-22H2,1-2H3
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Article
PubMed
320n/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))
BDBM26910
PNG
(8-[bis(2-chlorophenyl)methyl]-3-[2-(dimethylamino)...)
Show SMILES CN(C)CCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
Show InChI InChI=1S/C30H34Cl2N4O/c1-33(2)20-21-35-22-36(23-10-4-3-5-11-23)30(29(35)37)16-18-34(19-17-30)28(24-12-6-8-14-26(24)31)25-13-7-9-15-27(25)32/h3-15,28H,16-22H2,1-2H3
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PubMed
421n/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))
BDBM26910
PNG
(8-[bis(2-chlorophenyl)methyl]-3-[2-(dimethylamino)...)
Show SMILES CN(C)CCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
Show InChI InChI=1S/C30H34Cl2N4O/c1-33(2)20-21-35-22-36(23-10-4-3-5-11-23)30(29(35)37)16-18-34(19-17-30)28(24-12-6-8-14-26(24)31)25-13-7-9-15-27(25)32/h3-15,28H,16-22H2,1-2H3
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Article
PubMed
933n/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