BDBM50418213 CHEMBL1760661
SMILES: COc1ccc(OC(F)(F)F)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)O
InChI Key: InChIKey=WYADDRJAVCBMLP-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50418213 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)) | BDBM50418213
(CHEMBL1760661)Show SMILES COc1ccc(OC(F)(F)F)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)O Show InChI InChI=1S/C23H22F3N3O4/c1-22(2,31)13-28-21(30)19-10-15-8-14(11-27)4-6-18(15)29(19)12-16-9-17(33-23(24,25)26)5-7-20(16)32-3/h4-10,31H,12-13H2,1-3H3,(H,28,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019
BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418213
(CHEMBL1760661)Show SMILES COc1ccc(OC(F)(F)F)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)O Show InChI InChI=1S/C23H22F3N3O4/c1-22(2,31)13-28-21(30)19-10-15-8-14(11-27)4-6-18(15)29(19)12-16-9-17(33-23(24,25)26)5-7-20(16)32-3/h4-10,31H,12-13H2,1-3H3,(H,28,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22.4 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019
BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this
Ligand-Target Pair | |
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