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BDBM50305421 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-morpholino-1H-pyrazole-3-carboxamide::CHEMBL604061

SMILES: Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)NN1CCOCC1

InChI Key: InChIKey=SPUWBWJYUKCTKB-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50305421   
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))
BDBM50305421
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanometh...)
Show SMILES Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)NN1CCOCC1
Show InChI InChI=1S/C22H19Cl2N5O2/c23-16-7-5-15(6-8-16)21-17(9-10-25)20(22(30)27-28-11-13-31-14-12-28)26-29(21)19-4-2-1-3-18(19)24/h1-8H,9,11-14H2,(H,27,30)
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 71n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 20: 26-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.047
BindingDB Entry DOI: 10.7270/Q28G8KS9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50305421
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanometh...)
Show SMILES Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)NN1CCOCC1
Show InChI InChI=1S/C22H19Cl2N5O2/c23-16-7-5-15(6-8-16)21-17(9-10-25)20(22(30)27-28-11-13-31-14-12-28)26-29(21)19-4-2-1-3-18(19)24/h1-8H,9,11-14H2,(H,27,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 71n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-induced GTPgammaS binding


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair