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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM86514'   
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


(Homo sapiens (Human))
BDBM86514
PNG
(BAY 59-3074 | CAS_406205-74-1 | CHEMBL1354658)
Show SMILES FC(F)(F)CCCS(=O)(=O)Oc1cccc(Oc2cccc(c2C#N)C(F)(F)F)c1
Show InChI InChI=1S/C18H13F6NO4S/c19-17(20,21)8-3-9-30(26,27)29-13-5-1-4-12(10-13)28-16-7-2-6-15(14(16)11-25)18(22,23)24/h1-2,4-7,10H,3,8-9H2
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48.3n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]BAY-38-7271 from CB1 receptor in human brain cortex membranes after 90 mins by scintillation counting


Bioorg Med Chem Lett 21: 5999-6002 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.017
BindingDB Entry DOI: 10.7270/Q26M376D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86514
PNG
(BAY 59-3074 | CAS_406205-74-1 | CHEMBL1354658)
Show SMILES FC(F)(F)CCCS(=O)(=O)Oc1cccc(Oc2cccc(c2C#N)C(F)(F)F)c1
Show InChI InChI=1S/C18H13F6NO4S/c19-17(20,21)8-3-9-30(26,27)29-13-5-1-4-12(10-13)28-16-7-2-6-15(14(16)11-25)18(22,23)24/h1-2,4-7,10H,3,8-9H2
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48.3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB1 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM86514
PNG
(BAY 59-3074 | CAS_406205-74-1 | CHEMBL1354658)
Show SMILES FC(F)(F)CCCS(=O)(=O)Oc1cccc(Oc2cccc(c2C#N)C(F)(F)F)c1
Show InChI InChI=1S/C18H13F6NO4S/c19-17(20,21)8-3-9-30(26,27)29-13-5-1-4-12(10-13)28-16-7-2-6-15(14(16)11-25)18(22,23)24/h1-2,4-7,10H,3,8-9H2
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55.4n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from rat cannabinoid CB1 receptor


Bioorg Med Chem Lett 21: 5999-6002 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.017
BindingDB Entry DOI: 10.7270/Q26M376D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM86514
PNG
(BAY 59-3074 | CAS_406205-74-1 | CHEMBL1354658)
Show SMILES FC(F)(F)CCCS(=O)(=O)Oc1cccc(Oc2cccc(c2C#N)C(F)(F)F)c1
Show InChI InChI=1S/C18H13F6NO4S/c19-17(20,21)8-3-9-30(26,27)29-13-5-1-4-12(10-13)28-16-7-2-6-15(14(16)11-25)18(22,23)24/h1-2,4-7,10H,3,8-9H2
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55.4n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 620-32 (2004)


Article DOI: 10.1124/jpet.103.062836
BindingDB Entry DOI: 10.7270/Q2N0154R
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM86514
PNG
(BAY 59-3074 | CAS_406205-74-1 | CHEMBL1354658)
Show SMILES FC(F)(F)CCCS(=O)(=O)Oc1cccc(Oc2cccc(c2C#N)C(F)(F)F)c1
Show InChI InChI=1S/C18H13F6NO4S/c19-17(20,21)8-3-9-30(26,27)29-13-5-1-4-12(10-13)28-16-7-2-6-15(14(16)11-25)18(22,23)24/h1-2,4-7,10H,3,8-9H2
PDB

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CHEMBL
PC cid
PC sid
UniChem
Article
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55.4n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]BAY-38-7271 from CB1 receptor in Wistar rat brain membranes after 90 mins by scintillation counting


Bioorg Med Chem Lett 21: 5999-6002 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.017
BindingDB Entry DOI: 10.7270/Q26M376D
More data for this
Ligand-Target Pair