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3 similar compounds to monomer 50160445

Compile data set for download or QSAR
Wt: 601.7
BDBM50160432
Wt: 615.7
BDBM50160440
Wt: 544.0
BDBM50172168

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50160432,50160440,50172168   
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))
BDBM50172168
PNG
(CHEMBL370824 | N-((S)-1-{4-[2-(4-Chloro-benzenesul...)
Show SMILES COc1ccc(c(c1)S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1)[C@H](C)NS(C)(=O)=O
Show InChI InChI=1S/C22H22ClNO7S3/c1-15(24-32(3,25)26)16-4-9-19(10-5-16)33(27,28)21-13-8-18(31-2)14-22(21)34(29,30)20-11-6-17(23)7-12-20/h4-15,24H,1-3H3/t15-/m0/s1
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Article
PubMed
0.900n/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))
BDBM50160432
PNG
(CHEMBL180963 | 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(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H27NO8S3/c1-20(29-40(34,35)26-7-5-4-6-8-26)21-9-14-24(15-10-21)38(30,31)27-18-13-23(37-3)19-28(27)39(32,33)25-16-11-22(36-2)12-17-25/h4-20,29H,1-3H3/t20-/m0/s1
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855n/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))
BDBM50160440
PNG
(CHEMBL180196 | 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(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C29H29NO8S3/c1-20-5-12-27(13-6-20)41(35,36)30-21(2)22-7-14-25(15-8-22)39(31,32)28-18-11-24(38-4)19-29(28)40(33,34)26-16-9-23(37-3)10-17-26/h5-19,21,30H,1-4H3/t21-/m0/s1
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Article
PubMed
1.92E+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