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BDBM50389928 CHEMBL2071063

SMILES: CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N(C)C

InChI Key: InChIKey=WVXDJOGNHLCWST-UHFFFAOYSA-N

Data: 2 IC50  5 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50389928   
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


(Homo sapiens (Human))
BDBM50389928
PNG
(CHEMBL2071063)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N(C)C
Show InChI InChI=1S/C21H24ClN3O/c1-4-17-18-13-15(22)7-10-19(18)24-20(17)21(26)23-12-11-14-5-8-16(9-6-14)25(2)3/h5-10,13,24H,4,11-12H2,1-3H3,(H,23,26)
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Article
PubMed
n/an/a 787n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-RD-HGA16 cells assessed as inhibition of CP55940-induced calcium mobilization incubated fo...


Bioorg Med Chem 23: 2195-203 (2015)


Article DOI: 10.1016/j.bmc.2015.02.058
BindingDB Entry DOI: 10.7270/Q29888PG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50389928
PNG
(CHEMBL2071063)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N(C)C
Show InChI InChI=1S/C21H24ClN3O/c1-4-17-18-13-15(22)7-10-19(18)24-20(17)21(26)23-12-11-14-5-8-16(9-6-14)25(2)3/h5-10,13,24H,4,11-12H2,1-3H3,(H,23,26)
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n/an/an/an/a 210n/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK cells assessed as inhibition of forskolin-induced cAMP accumulation


J Med Chem 58: 5979-88 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00579
BindingDB Entry DOI: 10.7270/Q2PG1TG7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50389928
PNG
(CHEMBL2071063)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N(C)C
Show InChI InChI=1S/C21H24ClN3O/c1-4-17-18-13-15(22)7-10-19(18)24-20(17)21(26)23-12-11-14-5-8-16(9-6-14)25(2)3/h5-10,13,24H,4,11-12H2,1-3H3,(H,23,26)
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n/an/an/an/a 600n/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Activity at hemagglutinin-tagged human CB1 receptor expressed in HEK293 cells assessed as effect on forskolin-induced cAMP accumulation after 15 mins...


J Med Chem 58: 5979-88 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00579
BindingDB Entry DOI: 10.7270/Q2PG1TG7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50389928
PNG
(CHEMBL2071063)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N(C)C
Show InChI InChI=1S/C21H24ClN3O/c1-4-17-18-13-15(22)7-10-19(18)24-20(17)21(26)23-12-11-14-5-8-16(9-6-14)25(2)3/h5-10,13,24H,4,11-12H2,1-3H3,(H,23,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of [3H]CP55940 binding


J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50389928
PNG
(CHEMBL2071063)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N(C)C
Show InChI InChI=1S/C21H24ClN3O/c1-4-17-18-13-15(22)7-10-19(18)24-20(17)21(26)23-12-11-14-5-8-16(9-6-14)25(2)3/h5-10,13,24H,4,11-12H2,1-3H3,(H,23,26)
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n/an/an/an/a 430n/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Activity at hemagglutinin-tagged human CB1 receptor expressed in HEK293 cells assessed as effect on forskolin-induced cAMP accumulation after 15 mins...


J Med Chem 58: 5979-88 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00579
BindingDB Entry DOI: 10.7270/Q2PG1TG7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50389928
PNG
(CHEMBL2071063)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N(C)C
Show InChI InChI=1S/C21H24ClN3O/c1-4-17-18-13-15(22)7-10-19(18)24-20(17)21(26)23-12-11-14-5-8-16(9-6-14)25(2)3/h5-10,13,24H,4,11-12H2,1-3H3,(H,23,26)
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Article
PubMed
n/an/an/an/a 50n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Allosteric modulation of human recombinant CB1 receptor expressed in HEK293 cells assessed as stimulation of [3H]CP55940 binding


J Med Chem 55: 5627-31 (2012)


Article DOI: 10.1021/jm201485c
BindingDB Entry DOI: 10.7270/Q27W6D8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50389928
PNG
(CHEMBL2071063)
Show SMILES CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N(C)C
Show InChI InChI=1S/C21H24ClN3O/c1-4-17-18-13-15(22)7-10-19(18)24-20(17)21(26)23-12-11-14-5-8-16(9-6-14)25(2)3/h5-10,13,24H,4,11-12H2,1-3H3,(H,23,26)
PDB

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PubMed
n/an/an/an/a 3.43E+3n/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Activity at hemagglutinin-tagged human CB1 receptor expressed in HEK293 cells assessed as effect on forskolin-induced cAMP accumulation after 15 mins...


J Med Chem 58: 5979-88 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00579
BindingDB Entry DOI: 10.7270/Q2PG1TG7
More data for this
Ligand-Target Pair