BindingDB logo
myBDB logout

BDBM50229035 CHEMBL332941

SMILES: [H][C@@]12CC(=C)[C@H](O)C[C@@]1([H])C(C)(C)Oc1cc(CCCCC)cc(O)c21

InChI Key: InChIKey=YRXPGUPXVCGYGF-BRWVUGGUSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50229035   
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


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))		BDBM50229035
PNG
(CHEMBL332941)
Show SMILES [H][C@@]12CC(=C)[C@H](O)C[C@@]1([H])C(C)(C)Oc1cc(CCCCC)cc(O)c21
Show InChI InChI=1S/C21H30O3/c1-5-6-7-8-14-10-18(23)20-15-9-13(2)17(22)12-16(15)21(3,4)24-19(20)11-14/h10-11,15-17,22-23H,2,5-9,12H2,1,3-4H3/t15-,16-,17-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
The compound was tested in vitro for binding activity against THC cannabinoid receptor site, using 3H-CP-55940 as the radioligand

J Med Chem 34: 3310-6 (1991)


BindingDB Entry DOI: 10.7270/Q2154K8S
More data for this
Ligand-Target Pair