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BDBM50298920 CHEMBL574046::N-[2-(4-Chlorophenyl)ethyl]1-(2,4-difluorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-1H-pyrazole-3-carboxamide

SMILES: Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(F)cc1F)C(=O)NCCc1ccc(Cl)cc1

InChI Key: InChIKey=ZOLQPCWWRNXSAE-UHFFFAOYSA-N

Data: 2 KI

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 = 50298920   
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))
BDBM50298920
PNG
(CHEMBL574046 | N-[2-(4-Chlorophenyl)ethyl]1-(2,4-d...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(F)cc1F)C(=O)NCCc1ccc(Cl)cc1 |(8.06,-15.47,;7.59,-14,;8.49,-12.76,;7.59,-11.51,;6.13,-11.99,;4.88,-11.08,;6.13,-13.53,;4.88,-14.43,;3.41,-13.96,;2.94,-12.49,;2.5,-15.21,;3.41,-16.45,;4.88,-15.97,;6.13,-16.88,;7.53,-16.25,;8.77,-17.15,;8.61,-18.69,;9.86,-19.6,;7.2,-19.32,;5.96,-18.41,;4.56,-19.03,;.96,-15.21,;.19,-13.87,;.19,-16.54,;-1.35,-16.54,;-2.12,-17.87,;-3.66,-17.87,;-4.43,-19.2,;-5.97,-19.2,;-6.74,-17.87,;-8.28,-17.87,;-5.97,-16.54,;-4.43,-16.54,)|
Show InChI InChI=1S/C25H23ClF2N4O/c1-15-4-5-16(2)31(15)25-17(3)23(30-32(25)22-11-10-20(27)14-21(22)28)24(33)29-13-12-18-6-8-19(26)9-7-18/h4-11,14H,12-13H2,1-3H3,(H,29,33)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
50n/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))
BDBM50298920
PNG
(CHEMBL574046 | N-[2-(4-Chlorophenyl)ethyl]1-(2,4-d...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(F)cc1F)C(=O)NCCc1ccc(Cl)cc1 |(8.06,-15.47,;7.59,-14,;8.49,-12.76,;7.59,-11.51,;6.13,-11.99,;4.88,-11.08,;6.13,-13.53,;4.88,-14.43,;3.41,-13.96,;2.94,-12.49,;2.5,-15.21,;3.41,-16.45,;4.88,-15.97,;6.13,-16.88,;7.53,-16.25,;8.77,-17.15,;8.61,-18.69,;9.86,-19.6,;7.2,-19.32,;5.96,-18.41,;4.56,-19.03,;.96,-15.21,;.19,-13.87,;.19,-16.54,;-1.35,-16.54,;-2.12,-17.87,;-3.66,-17.87,;-4.43,-19.2,;-5.97,-19.2,;-6.74,-17.87,;-8.28,-17.87,;-5.97,-16.54,;-4.43,-16.54,)|
Show InChI InChI=1S/C25H23ClF2N4O/c1-15-4-5-16(2)31(15)25-17(3)23(30-32(25)22-11-10-20(27)14-21(22)28)24(33)29-13-12-18-6-8-19(26)9-7-18/h4-11,14H,12-13H2,1-3H3,(H,29,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>3.94E+3n/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