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BDBM93461 hCB1 Inhibitor, 2{1,1,6}

SMILES: Cc1ccccc1-n1ncc(C(=O)NCCCc2ccccc2)c1-c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=YLIXLLSBKDRQPU-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 93461   
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))
BDBM93461
PNG
(hCB1 Inhibitor, 2{1,1,6})
Show SMILES Cc1ccccc1-n1ncc(C(=O)NCCCc2ccccc2)c1-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C32H29N3O/c1-24-11-8-9-17-30(24)35-31(28-20-18-27(19-21-28)26-15-6-3-7-16-26)29(23-34-35)32(36)33-22-10-14-25-12-4-2-5-13-25/h2-9,11-13,15-21,23H,10,14,22H2,1H3,(H,33,36)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development



Assay Description
Inhibition assay using hCB1.


ACS Comb Sci 14: 197-204 (2012)


Article DOI: 10.1021/co200147y
BindingDB Entry DOI: 10.7270/Q22J69G1
More data for this
Ligand-Target Pair