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BDBM50253554 3-(2,4-Dichlorophenyl)-4-(5-(3-ethoxyprop-1-ynyl)thiophen-2-yl)-5-methyl-N-(piperidin-1-yl)cyclopenta-1,4-dienecarboxamide::CHEMBL492860

SMILES: CCOCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1

InChI Key: InChIKey=SROCTROBBQZOCL-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 = 50253554   
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))
BDBM50253554
PNG
(3-(2,4-Dichlorophenyl)-4-(5-(3-ethoxyprop-1-ynyl)t...)
Show SMILES CCOCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H26Cl2N4O2S/c1-3-33-15-7-8-19-10-12-22(34-19)24-17(2)23(25(32)29-30-13-5-4-6-14-30)28-31(24)21-11-9-18(26)16-20(21)27/h9-12,16H,3-6,13-15H2,1-2H3,(H,29,32)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 986n/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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253554
PNG
(3-(2,4-Dichlorophenyl)-4-(5-(3-ethoxyprop-1-ynyl)t...)
Show SMILES CCOCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H26Cl2N4O2S/c1-3-33-15-7-8-19-10-12-22(34-19)24-17(2)23(25(32)29-30-13-5-4-6-14-30)28-31(24)21-11-9-18(26)16-20(21)27/h9-12,16H,3-6,13-15H2,1-2H3,(H,29,32)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 25.5n/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 1


(Homo sapiens (Human))
BDBM50253554
PNG
(3-(2,4-Dichlorophenyl)-4-(5-(3-ethoxyprop-1-ynyl)t...)
Show SMILES CCOCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H26Cl2N4O2S/c1-3-33-15-7-8-19-10-12-22(34-19)24-17(2)23(25(32)29-30-13-5-4-6-14-30)28-31(24)21-11-9-18(26)16-20(21)27/h9-12,16H,3-6,13-15H2,1-2H3,(H,29,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12.7n/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