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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50071414'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50071414
PNG
((6aR,10aR)-3-((1S,2R)-1,2-Dimethyl-heptyl)-6,6,9-t...)
Show SMILES CCCCC[C@@H](C)[C@H](C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-17(3)18(4)19-14-22(26)24-20-13-16(2)11-12-21(20)25(5,6)27-23(24)15-19/h11,14-15,17-18,20-21,26H,7-10,12-13H2,1-6H3/t17-,18+,20-,21-/m1/s1
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.460n/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)


Article DOI: 10.1016/s0960-894x(98)00385-0
BindingDB Entry DOI: 10.7270/Q2KW5F78
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50071414
PNG
((6aR,10aR)-3-((1S,2R)-1,2-Dimethyl-heptyl)-6,6,9-t...)
Show SMILES CCCCC[C@@H](C)[C@H](C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-17(3)18(4)19-14-22(26)24-20-13-16(2)11-12-21(20)25(5,6)27-23(24)15-19/h11,14-15,17-18,20-21,26H,7-10,12-13H2,1-6H3/t17-,18+,20-,21-/m1/s1
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.59n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 218-26 (1993)


BindingDB Entry DOI: 10.7270/Q2HH6HM0
More data for this
Ligand-Target Pair