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3 similar compounds to monomer 50312594

Compile data set for download or QSAR
Wt: 454.8
BDBM50242546
Wt: 420.3
BDBM50242566
Wt: 406.3
BDBM50413753

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50242546,50242566,50413753   
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))
BDBM50242546
PNG
(CHEMBL488217 | N-tert-Butyl-4-((4-chlorophenyl)(2,...)
Show SMILES CC(C)(C)NC(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl
Show InChI InChI=1/C22H26Cl3N3O/c1-22(2,3)26-21(29)28-12-10-27(11-13-28)20(15-4-6-16(23)7-5-15)18-9-8-17(24)14-19(18)25/h4-9,14,20H,10-13H2,1-3H3,(H,26,29)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
BindingDB Entry DOI: 10.7270/Q2B56JH2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50242566
PNG
(CHEMBL519584 | N-tert-Butyl-4-((2-chlorophenyl)(4-...)
Show SMILES CC(C)(C)NC(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1ccccc1Cl
Show InChI InChI=1/C22H27Cl2N3O/c1-22(2,3)25-21(28)27-14-12-26(13-15-27)20(16-8-10-17(23)11-9-16)18-6-4-5-7-19(18)24/h4-11,20H,12-15H2,1-3H3,(H,25,28)
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n/an/a 443n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
BindingDB Entry DOI: 10.7270/Q2B56JH2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50413753
PNG
(CHEMBL468931)
Show SMILES CC(C)NC(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1ccccc1Cl
Show InChI InChI=1/C21H25Cl2N3O/c1-15(2)24-21(27)26-13-11-25(12-14-26)20(16-7-9-17(22)10-8-16)18-5-3-4-6-19(18)23/h3-10,15,20H,11-14H2,1-2H3,(H,24,27)
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n/an/a 398n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
BindingDB Entry DOI: 10.7270/Q2CN7543
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242566
PNG
(CHEMBL519584 | N-tert-Butyl-4-((2-chlorophenyl)(4-...)
Show SMILES CC(C)(C)NC(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1ccccc1Cl
Show InChI InChI=1/C22H27Cl2N3O/c1-22(2,3)25-21(28)27-14-12-26(13-15-27)20(16-8-10-17(23)11-9-16)18-6-4-5-7-19(18)24/h4-11,20H,12-15H2,1-3H3,(H,25,28)
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n/an/a 122n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
BindingDB Entry DOI: 10.7270/Q2B56JH2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50242566
PNG
(CHEMBL519584 | N-tert-Butyl-4-((2-chlorophenyl)(4-...)
Show SMILES CC(C)(C)NC(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1ccccc1Cl
Show InChI InChI=1/C22H27Cl2N3O/c1-22(2,3)25-21(28)27-14-12-26(13-15-27)20(16-8-10-17(23)11-9-16)18-6-4-5-7-19(18)24/h4-11,20H,12-15H2,1-3H3,(H,25,28)
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n/an/a 4.82E+3n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from human CB2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
BindingDB Entry DOI: 10.7270/Q2B56JH2
More data for this
Ligand-Target Pair