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BDBM50298926 CHEMBL585177::N-[2-(2,4-Dichlorophenyl)ethyl]1-(2,4-difluorophenyl)-4-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide

SMILES: Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)NCCc1ccc(Cl)cc1Cl

InChI Key: InChIKey=CZIITECPJJGHFF-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50298926   
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))
BDBM50298926
PNG
(CHEMBL585177 | N-[2-(2,4-Dichlorophenyl)ethyl]1-(2...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H18Cl2F2N4O/c1-14-21(22(32)28-9-8-15-4-5-16(24)12-18(15)25)29-31(23(14)30-10-2-3-11-30)20-7-6-17(26)13-19(20)27/h2-7,10-13H,8-9H2,1H3,(H,28,32)
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
380n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298926
PNG
(CHEMBL585177 | N-[2-(2,4-Dichlorophenyl)ethyl]1-(2...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H18Cl2F2N4O/c1-14-21(22(32)28-9-8-15-4-5-16(24)12-18(15)25)29-31(23(14)30-10-2-3-11-30)20-7-6-17(26)13-19(20)27/h2-7,10-13H,8-9H2,1H3,(H,28,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
667n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair