BDBM50044126 CHEMBL3341900
SMILES: CC1(C)C(Cc2ccc(F)cc2NC(=O)Nc2ccc(cc2)S(N)(=O)=O)C(=O)N(C1=O)c1ccc(F)c(c1)C(F)(F)F
InChI Key: InChIKey=ZPZJSZPTHASPGA-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50044126 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50044126
(CHEMBL3341900)Show SMILES CC1(C)C(Cc2ccc(F)cc2NC(=O)Nc2ccc(cc2)S(N)(=O)=O)C(=O)N(C1=O)c1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C27H23F5N4O5S/c1-26(2)20(23(37)36(24(26)38)17-7-10-21(29)19(13-17)27(30,31)32)11-14-3-4-15(28)12-22(14)35-25(39)34-16-5-8-18(9-6-16)42(33,40)41/h3-10,12-13,20H,11H2,1-2H3,(H2,33,40,41)(H2,34,35,39) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jenrin Discovery
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 23: 4751-60 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.066
BindingDB Entry DOI: 10.7270/Q2VH5QFZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50044126
(CHEMBL3341900)Show SMILES CC1(C)C(Cc2ccc(F)cc2NC(=O)Nc2ccc(cc2)S(N)(=O)=O)C(=O)N(C1=O)c1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C27H23F5N4O5S/c1-26(2)20(23(37)36(24(26)38)17-7-10-21(29)19(13-17)27(30,31)32)11-14-3-4-15(28)12-22(14)35-25(39)34-16-5-8-18(9-6-16)42(33,40)41/h3-10,12-13,20H,11H2,1-2H3,(H2,33,40,41)(H2,34,35,39) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Jenrin Discovery
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 23: 4751-60 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.066
BindingDB Entry DOI: 10.7270/Q2VH5QFZ |
More data for this
Ligand-Target Pair | |
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