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3 similar compounds to monomer 50144291

Compile data set for download or QSAR
Wt: 472.6
BDBM50144273
Wt: 458.6
BDBM50144284
Wt: 472.6
BDBM50144304

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50144273,50144284,50144304   
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))
BDBM50144284
PNG
(CHEMBL68412 | N-Ethyl-4-[(3-hydroxy-phenyl)-(8-thi...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2Cc1cccs1)c1cccc(O)c1
Show InChI InChI=1S/C28H30N2O2S/c1-2-29-28(32)20-10-8-19(9-11-20)27(21-5-3-6-25(31)17-21)22-15-23-12-13-24(16-22)30(23)18-26-7-4-14-33-26/h3-11,14,17,23-24,31H,2,12-13,15-16,18H2,1H3,(H,29,32)
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PubMed
0.152n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards opioid receptor delta 1


Bioorg Med Chem Lett 14: 2113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.052
BindingDB Entry DOI: 10.7270/Q21J997Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144273
PNG
(CHEMBL66741 | N-Ethyl-4-[(3-methoxy-phenyl)-(8-thi...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2Cc1cccs1)c1cccc(OC)c1
Show InChI InChI=1S/C29H32N2O2S/c1-3-30-29(32)21-11-9-20(10-12-21)28(22-6-4-7-26(18-22)33-2)23-16-24-13-14-25(17-23)31(24)19-27-8-5-15-34-27/h4-12,15,18,24-25H,3,13-14,16-17,19H2,1-2H3,(H,30,32)
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0.510n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards opioid receptor delta 1


Bioorg Med Chem Lett 14: 2113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.052
BindingDB Entry DOI: 10.7270/Q21J997Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50144284
PNG
(CHEMBL68412 | N-Ethyl-4-[(3-hydroxy-phenyl)-(8-thi...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2Cc1cccs1)c1cccc(O)c1
Show InChI InChI=1S/C28H30N2O2S/c1-2-29-28(32)20-10-8-19(9-11-20)27(21-5-3-6-25(31)17-21)22-15-23-12-13-24(16-22)30(23)18-26-7-4-14-33-26/h3-11,14,17,23-24,31H,2,12-13,15-16,18H2,1H3,(H,29,32)
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0.664n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards opioid receptor mu 1


Bioorg Med Chem Lett 14: 2113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.052
BindingDB Entry DOI: 10.7270/Q21J997Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144304
PNG
(CHEMBL67326 | N-Ethyl-4-[(4-methoxy-phenyl)-(8-thi...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2Cc1cccs1)c1ccc(OC)cc1
Show InChI InChI=1S/C29H32N2O2S/c1-3-30-29(32)22-8-6-20(7-9-22)28(21-10-14-26(33-2)15-11-21)23-17-24-12-13-25(18-23)31(24)19-27-5-4-16-34-27/h4-11,14-16,24-25H,3,12-13,17-19H2,1-2H3,(H,30,32)
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1.30n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards opioid receptor delta 1


Bioorg Med Chem Lett 14: 2113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.052
BindingDB Entry DOI: 10.7270/Q21J997Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50144273
PNG
(CHEMBL66741 | N-Ethyl-4-[(3-methoxy-phenyl)-(8-thi...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2Cc1cccs1)c1cccc(OC)c1
Show InChI InChI=1S/C29H32N2O2S/c1-3-30-29(32)21-11-9-20(10-12-21)28(22-6-4-7-26(18-22)33-2)23-16-24-13-14-25(17-23)31(24)19-27-8-5-15-34-27/h4-12,15,18,24-25H,3,13-14,16-17,19H2,1-2H3,(H,30,32)
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3.80n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards opioid receptor mu 1


Bioorg Med Chem Lett 14: 2113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.052
BindingDB Entry DOI: 10.7270/Q21J997Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50144304
PNG
(CHEMBL67326 | N-Ethyl-4-[(4-methoxy-phenyl)-(8-thi...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2Cc1cccs1)c1ccc(OC)cc1
Show InChI InChI=1S/C29H32N2O2S/c1-3-30-29(32)22-8-6-20(7-9-22)28(21-10-14-26(33-2)15-11-21)23-17-24-12-13-25(18-23)31(24)19-27-5-4-16-34-27/h4-11,14-16,24-25H,3,12-13,17-19H2,1-2H3,(H,30,32)
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13n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards opioid receptor mu 1


Bioorg Med Chem Lett 14: 2113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.052
BindingDB Entry DOI: 10.7270/Q21J997Q
More data for this
Ligand-Target Pair