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8 similar compounds to monomer 50160428

Compile data set for download or QSAR
Wt: 595.6
BDBM50160425
Wt: 545.6
BDBM50160430
Wt: 579.6
BDBM50160431
Wt: 529.6
BDBM50160435
Wt: 517.6
BDBM50160438
Wt: 557.5
BDBM50160439
Wt: 579.6
BDBM50160442
Wt: 531.6
BDBM50160444

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50160425,50160430,50160431,50160435,50160438,50160439,50160442,50160444   
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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160439
PNG
(2,2,2-Trifluoro-N-((S)-1-{4-[4-methoxy-2-(4-methox...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(cc1)[C@H](C)NC(=O)C(F)(F)F
Show InChI InChI=1S/C24H22F3NO7S2/c1-15(28-23(29)24(25,26)27)16-4-9-19(10-5-16)36(30,31)21-13-8-18(35-3)14-22(21)37(32,33)20-11-6-17(34-2)7-12-20/h4-15H,1-3H3,(H,28,29)/t15-/m0/s1
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235n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for cannabinoid receptor 1


Bioorg Med Chem Lett 15: 783-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160431
PNG
(CHEMBL361957 | N-((S)-1-{4-[4-Methoxy-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(cc1)[C@H](C)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C30H29NO7S2/c1-21(31-30(32)19-22-7-5-4-6-8-22)23-9-14-26(15-10-23)39(33,34)28-18-13-25(38-3)20-29(28)40(35,36)27-16-11-24(37-2)12-17-27/h4-18,20-21H,19H2,1-3H3,(H,31,32)/t21-/m0/s1
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478n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for cannabinoid receptor 1


Bioorg Med Chem Lett 15: 783-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160442
PNG
(CHEMBL360697 | N-((S)-1-{4-[4-Methoxy-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(cc1)[C@H](C)NC(=O)c1ccc(C)cc1
Show InChI InChI=1S/C30H29NO7S2/c1-20-5-7-23(8-6-20)30(32)31-21(2)22-9-14-26(15-10-22)39(33,34)28-18-13-25(38-4)19-29(28)40(35,36)27-16-11-24(37-3)12-17-27/h5-19,21H,1-4H3,(H,31,32)/t21-/m0/s1
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884n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for cannabinoid receptor 1


Bioorg Med Chem Lett 15: 783-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160425
PNG
(4-Methoxy-N-((S)-1-{4-[4-methoxy-2-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C30H29NO8S2/c1-20(31-30(32)22-5-9-23(37-2)10-6-22)21-7-14-26(15-8-21)40(33,34)28-18-13-25(39-4)19-29(28)41(35,36)27-16-11-24(38-3)12-17-27/h5-20H,1-4H3,(H,31,32)/t20-/m0/s1
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1.17E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for cannabinoid receptor 1


Bioorg Med Chem Lett 15: 783-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160444
PNG
(CHEMBL180748 | N-((S)-1-{4-[4-Methoxy-2-(4-methoxy...)
Show SMILES CCCC(=O)N[C@@H](C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C26H29NO7S2/c1-5-6-26(28)27-18(2)19-7-12-22(13-8-19)35(29,30)24-16-11-21(34-4)17-25(24)36(31,32)23-14-9-20(33-3)10-15-23/h7-18H,5-6H2,1-4H3,(H,27,28)/t18-/m0/s1
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1.17E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for cannabinoid receptor 1


Bioorg Med Chem Lett 15: 783-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160430
PNG
(CHEMBL180788 | N-((S)-1-{4-[4-Methoxy-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(cc1)[C@H](C)NC(=O)C(C)(C)C
Show InChI InChI=1S/C27H31NO7S2/c1-18(28-26(29)27(2,3)4)19-7-12-22(13-8-19)36(30,31)24-16-11-21(35-6)17-25(24)37(32,33)23-14-9-20(34-5)10-15-23/h7-18H,1-6H3,(H,28,29)/t18-/m0/s1
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2.31E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for cannabinoid receptor 1


Bioorg Med Chem Lett 15: 783-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160438
PNG
(CHEMBL181677 | N-((S)-1-{4-[4-Methoxy-2-(4-methoxy...)
Show SMILES CCC(=O)N[C@@H](C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C25H27NO7S2/c1-5-25(27)26-17(2)18-6-11-21(12-7-18)34(28,29)23-15-10-20(33-4)16-24(23)35(30,31)22-13-8-19(32-3)9-14-22/h6-17H,5H2,1-4H3,(H,26,27)/t17-/m0/s1
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3.56E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for cannabinoid receptor 1


Bioorg Med Chem Lett 15: 783-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160435
PNG
(CHEMBL180450 | Cyclopropanecarboxylic acid ((S)-1-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(cc1)[C@H](C)NC(=O)C1CC1
Show InChI InChI=1S/C26H27NO7S2/c1-17(27-26(28)19-4-5-19)18-6-11-22(12-7-18)35(29,30)24-15-10-21(34-3)16-25(24)36(31,32)23-13-8-20(33-2)9-14-23/h6-17,19H,4-5H2,1-3H3,(H,27,28)/t17-/m0/s1
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1.06E+4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for cannabinoid receptor 1


Bioorg Med Chem Lett 15: 783-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7
More data for this
Ligand-Target Pair