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BDBM50275446 2-tert-butyl-5-(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazol-3-yl)-1,3,4-oxadiazole::CHEMBL487158

SMILES: Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)-c1nnc(o1)C(C)(C)C

InChI Key: InChIKey=LLUPQAMJQLNFAN-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50275446   
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 2


(Homo sapiens (Human))
BDBM50275446
PNG
(2-tert-butyl-5-(5-(4-chlorophenyl)-1-(2,4-dichloro...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)-c1nnc(o1)C(C)(C)C
Show InChI InChI=1S/C22H19Cl3N4O/c1-12-18(20-26-27-21(30-20)22(2,3)4)28-29(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(23)8-6-13/h5-11H,1-4H3
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PC sid
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Article
PubMed
n/an/a 1.41E+3n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


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


J Med Chem 51: 7216-33 (2009)


Article DOI: 10.1021/jm800843r
BindingDB Entry DOI: 10.7270/Q2PK0G0G
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50275446
PNG
(2-tert-butyl-5-(5-(4-chlorophenyl)-1-(2,4-dichloro...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)-c1nnc(o1)C(C)(C)C
Show InChI InChI=1S/C22H19Cl3N4O/c1-12-18(20-26-27-21(30-20)22(2,3)4)28-29(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(23)8-6-13/h5-11H,1-4H3
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PubMed
n/an/a 7.59n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from CB1 receptor in Sprague-Dawley rat cerebellar membrane


Bioorg Med Chem 18: 1149-62 (2010)


Article DOI: 10.1016/j.bmc.2009.12.040
BindingDB Entry DOI: 10.7270/Q2TD9XG2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50275446
PNG
(2-tert-butyl-5-(5-(4-chlorophenyl)-1-(2,4-dichloro...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)-c1nnc(o1)C(C)(C)C
Show InChI InChI=1S/C22H19Cl3N4O/c1-12-18(20-26-27-21(30-20)22(2,3)4)28-29(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(23)8-6-13/h5-11H,1-4H3
PDB

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PC cid
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Article
PubMed
n/an/a 7.59n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebellum by liquid scintillation spectrometry


J Med Chem 51: 7216-33 (2009)


Article DOI: 10.1021/jm800843r
BindingDB Entry DOI: 10.7270/Q2PK0G0G
More data for this
Ligand-Target Pair