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BDBM50071413 (6aR,10aR)-3-((1S,2R)-1,2-Dimethyl-heptyl)-9-hydroxymethyl-6,6-dimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol::CHEMBL73060

SMILES: CCCCC[C@@H](C)[C@H](C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1

InChI Key: InChIKey=QSBPDCLJSABQNC-HRQSHJORSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50071413   
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


(Rattus norvegicus (rat))		BDBM50071413
PNG
((6aR,10aR)-3-((1S,2R)-1,2-Dimethyl-heptyl)-9-hydro...)
Show SMILES CCCCC[C@@H](C)[C@H](C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |c:18|
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-16(2)17(3)19-13-22(27)24-20-12-18(15-26)10-11-21(20)25(4,5)28-23(24)14-19/h10,13-14,16-17,20-21,26-27H,6-9,11-12,15H2,1-5H3/t16-,17+,20-,21-/m1/s1
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Similars
PubMed
 0.490n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity of the compound for the cannabinoid brain receptor (CB1) using [3H]- CP-55,940

Bioorg Med Chem Lett 8: 2223-6 (1999)


BindingDB Entry DOI: 10.7270/Q2KW5F78
More data for this
Ligand-Target Pair