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BDBM50253918 1-(2,4-Dichlorophenyl)-5-(5-(hex-1-ynyl)thiophen-2-yl)-N-(hexahydrocyclopenta[c]pyrrol-2(1H)-yl)-4-methyl-1H-pyrazole-3-carboxamide::CHEMBL461429

SMILES: CCCCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1

InChI Key: InChIKey=OVCBVNXWJQGESU-UHFFFAOYSA-N

Data: 2 IC50  1 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 3 hits for monomerid = 50253918   
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))
BDBM50253918
PNG
(1-(2,4-Dichlorophenyl)-5-(5-(hex-1-ynyl)thiophen-2...)
Show SMILES CCCCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1
Show InChI InChI=1S/C28H30Cl2N4OS/c1-3-4-5-6-10-22-12-14-25(36-22)27-18(2)26(31-34(27)24-13-11-21(29)15-23(24)30)28(35)32-33-16-19-8-7-9-20(19)17-33/h11-15,19-20H,3-5,7-9,16-17H2,1-2H3,(H,32,35)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253918
PNG
(1-(2,4-Dichlorophenyl)-5-(5-(hex-1-ynyl)thiophen-2...)
Show SMILES CCCCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1
Show InChI InChI=1S/C28H30Cl2N4OS/c1-3-4-5-6-10-22-12-14-25(36-22)27-18(2)26(31-34(27)24-13-11-21(29)15-23(24)30)28(35)32-33-16-19-8-7-9-20(19)17-33/h11-15,19-20H,3-5,7-9,16-17H2,1-2H3,(H,32,35)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.70n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in HEK293 cells assessed as inhibition of Eu-GTP binding


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50253918
PNG
(1-(2,4-Dichlorophenyl)-5-(5-(hex-1-ynyl)thiophen-2...)
Show SMILES CCCCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1
Show InChI InChI=1S/C28H30Cl2N4OS/c1-3-4-5-6-10-22-12-14-25(36-22)27-18(2)26(31-34(27)24-13-11-21(29)15-23(24)30)28(35)32-33-16-19-8-7-9-20(19)17-33/h11-15,19-20H,3-5,7-9,16-17H2,1-2H3,(H,32,35)
PDB

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KEGG

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 158n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair