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SMILES: CC1CN(CCC(=O)N(C(Cc2ccccc2)C(O)=O)c2ccccc2)CCC1(C)c1cccc(O)c1

InChI Key: InChIKey=LZPSGESQYZAVOM-UHFFFAOYSA-N

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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 = 86970   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86970
PNG
((S)-2-(3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl...)
Show SMILES CC1CN(CCC(=O)N(C(Cc2ccccc2)C(O)=O)c2ccccc2)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C31H36N2O4/c1-23-22-32(19-17-31(23,2)25-12-9-15-27(34)21-25)18-16-29(35)33(26-13-7-4-8-14-26)28(30(36)37)20-24-10-5-3-6-11-24/h3-15,21,23,28,34H,16-20,22H2,1-2H3,(H,36,37)
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32n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
BindingDB Entry DOI: 10.7270/Q2B856Q8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86970
PNG
((S)-2-(3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl...)
Show SMILES CC1CN(CCC(=O)N(C(Cc2ccccc2)C(O)=O)c2ccccc2)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C31H36N2O4/c1-23-22-32(19-17-31(23,2)25-12-9-15-27(34)21-25)18-16-29(35)33(26-13-7-4-8-14-26)28(30(36)37)20-24-10-5-3-6-11-24/h3-15,21,23,28,34H,16-20,22H2,1-2H3,(H,36,37)
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67n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
BindingDB Entry DOI: 10.7270/Q2B856Q8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86970
PNG
((S)-2-(3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl...)
Show SMILES CC1CN(CCC(=O)N(C(Cc2ccccc2)C(O)=O)c2ccccc2)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C31H36N2O4/c1-23-22-32(19-17-31(23,2)25-12-9-15-27(34)21-25)18-16-29(35)33(26-13-7-4-8-14-26)28(30(36)37)20-24-10-5-3-6-11-24/h3-15,21,23,28,34H,16-20,22H2,1-2H3,(H,36,37)
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1.40E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2006-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.106
BindingDB Entry DOI: 10.7270/Q2B856Q8
More data for this
Ligand-Target Pair