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7 similar compounds to monomer 50160429

Compile data set for download or QSAR
Wt: 553.6
BDBM50160427
Wt: 581.7
BDBM50160441
Wt: 539.6
BDBM50160446
Wt: 539.6
BDBM50172148
Wt: 509.6
BDBM50172163
Wt: 553.6
BDBM50172177
Wt: 539.6
BDBM50312838

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50160427,50160441,50160446,50172148,50172163,50172177,50312838   
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 2


(Homo sapiens (Human))
BDBM50160446
PNG
(CHEMBL180465 | 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)NS(C)(=O)=O
Show InChI InChI=1S/C23H25NO8S3/c1-16(24-33(4,25)26)17-5-10-20(11-6-17)34(27,28)22-14-9-19(32-3)15-23(22)35(29,30)21-12-7-18(31-2)8-13-21/h5-16,24H,1-4H3/t16-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against Cannabinoid receptor 2


Bioorg Med Chem Lett 15: 4417-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.023
BindingDB Entry DOI: 10.7270/Q24T6HXQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50172163
PNG
(CHEMBL197955 | N-{(S)-1-[4-(2-Benzenesulfonyl-4-me...)
Show SMILES COc1ccc(c(c1)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccc(cc1)[C@H](C)NS(C)(=O)=O
Show InChI InChI=1S/C22H23NO7S3/c1-16(23-31(3,24)25)17-9-12-20(13-10-17)32(26,27)21-14-11-18(30-2)15-22(21)33(28,29)19-7-5-4-6-8-19/h4-16,23H,1-3H3/t16-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against Cannabinoid receptor 2


Bioorg Med Chem Lett 15: 4417-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.023
BindingDB Entry DOI: 10.7270/Q24T6HXQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50312838
PNG
(CHEMBL1081623 | SCH-225336 | [11C]N-(1-(4-(4-metho...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(cc1)C(C)NS(C)(=O)=O
Show InChI InChI=1/C23H25NO8S3/c1-16(24-33(4,25)26)17-5-10-20(11-6-17)34(27,28)22-14-9-19(32-3)15-23(22)35(29,30)21-12-7-18(31-2)8-13-21/h5-16,24H,1-4H3
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4.5n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1565-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.074
BindingDB Entry DOI: 10.7270/Q2N29X34
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50172177
PNG
(CHEMBL198252 | N-(1-{4-[4-Methoxy-2-(4-methoxy-ben...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(cc1)C(C)(C)NS(C)(=O)=O
Show InChI InChI=1S/C24H27NO8S3/c1-24(2,25-34(5,26)27)17-6-11-20(12-7-17)35(28,29)22-15-10-19(33-4)16-23(22)36(30,31)21-13-8-18(32-3)9-14-21/h6-16,25H,1-5H3
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6n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against Cannabinoid receptor 2


Bioorg Med Chem Lett 15: 4417-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.023
BindingDB Entry DOI: 10.7270/Q24T6HXQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50172148
PNG
(CHEMBL198062 | N-((R)-1-{4-[4-Methoxy-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(cc1)[C@@H](C)NS(C)(=O)=O
Show InChI InChI=1S/C23H25NO8S3/c1-16(24-33(4,25)26)17-5-10-20(11-6-17)34(27,28)22-14-9-19(32-3)15-23(22)35(29,30)21-12-7-18(31-2)8-13-21/h5-16,24H,1-4H3/t16-/m1/s1
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30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against Cannabinoid receptor 2


Bioorg Med Chem Lett 15: 4417-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.023
BindingDB Entry DOI: 10.7270/Q24T6HXQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160446
PNG
(CHEMBL180465 | 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)NS(C)(=O)=O
Show InChI InChI=1S/C23H25NO8S3/c1-16(24-33(4,25)26)17-5-10-20(11-6-17)34(27,28)22-14-9-19(32-3)15-23(22)35(29,30)21-12-7-18(31-2)8-13-21/h5-16,24H,1-4H3/t16-/m0/s1
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905n/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))
BDBM50160441
PNG
(Butane-1-sulfonic acid ((S)-1-{4-[4-methoxy-2-(4-m...)
Show SMILES CCCCS(=O)(=O)N[C@@H](C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C26H31NO8S3/c1-5-6-17-36(28,29)27-19(2)20-7-12-23(13-8-20)37(30,31)25-16-11-22(35-4)18-26(25)38(32,33)24-14-9-21(34-3)10-15-24/h7-16,18-19,27H,5-6,17H2,1-4H3/t19-/m0/s1
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1.13E+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))
BDBM50160427
PNG
(CHEMBL181288 | Ethanesulfonic acid ((S)-1-{4-[4-me...)
Show SMILES CCS(=O)(=O)N[C@@H](C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C24H27NO8S3/c1-5-34(26,27)25-17(2)18-6-11-21(12-7-18)35(28,29)23-15-10-20(33-4)16-24(23)36(30,31)22-13-8-19(32-3)9-14-22/h6-17,25H,5H2,1-4H3/t17-/m0/s1
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1.97E+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