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BDBM50298952 CHEMBL573796::N-[2-(3-Chloro-4-methoxyphenyl)ethyl]1-(2,4-dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-1H-pyrazole-3-carboxamide

SMILES: COc1ccc(CCNC(=O)c2nn(c(c2C)-n2c(C)ccc2C)-c2ccc(Cl)cc2Cl)cc1Cl

InChI Key: InChIKey=DGWIWHRBJPCYLT-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 = 50298952   
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))
BDBM50298952
PNG
(CHEMBL573796 | N-[2-(3-Chloro-4-methoxyphenyl)ethy...)
Show SMILES COc1ccc(CCNC(=O)c2nn(c(c2C)-n2c(C)ccc2C)-c2ccc(Cl)cc2Cl)cc1Cl |(4.63,4.94,;6.17,5.08,;7.06,3.83,;8.59,3.97,;9.48,2.72,;8.84,1.32,;9.73,.06,;11.27,.21,;12.16,-1.05,;13.69,-.91,;14.33,.49,;14.58,-2.16,;14.08,-3.63,;15.33,-4.55,;16.58,-3.66,;16.12,-2.18,;17.04,-.95,;18.04,-4.15,;18.5,-5.61,;17.57,-6.85,;20.04,-5.63,;20.53,-4.17,;19.3,-3.25,;19.31,-1.72,;15.31,-6.08,;16.63,-6.87,;16.61,-8.41,;15.27,-9.16,;15.26,-10.7,;13.95,-8.38,;13.96,-6.84,;12.64,-6.06,;7.31,1.17,;6.41,2.43,;4.88,2.28,)|
Show InChI InChI=1S/C26H25Cl3N4O2/c1-15-5-6-16(2)32(15)26-17(3)24(31-33(26)22-9-8-19(27)14-20(22)28)25(34)30-12-11-18-7-10-23(35-4)21(29)13-18/h5-10,13-14H,11-12H2,1-4H3,(H,30,34)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
112n/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))
BDBM50298952
PNG
(CHEMBL573796 | N-[2-(3-Chloro-4-methoxyphenyl)ethy...)
Show SMILES COc1ccc(CCNC(=O)c2nn(c(c2C)-n2c(C)ccc2C)-c2ccc(Cl)cc2Cl)cc1Cl |(4.63,4.94,;6.17,5.08,;7.06,3.83,;8.59,3.97,;9.48,2.72,;8.84,1.32,;9.73,.06,;11.27,.21,;12.16,-1.05,;13.69,-.91,;14.33,.49,;14.58,-2.16,;14.08,-3.63,;15.33,-4.55,;16.58,-3.66,;16.12,-2.18,;17.04,-.95,;18.04,-4.15,;18.5,-5.61,;17.57,-6.85,;20.04,-5.63,;20.53,-4.17,;19.3,-3.25,;19.31,-1.72,;15.31,-6.08,;16.63,-6.87,;16.61,-8.41,;15.27,-9.16,;15.26,-10.7,;13.95,-8.38,;13.96,-6.84,;12.64,-6.06,;7.31,1.17,;6.41,2.43,;4.88,2.28,)|
Show InChI InChI=1S/C26H25Cl3N4O2/c1-15-5-6-16(2)32(15)26-17(3)24(31-33(26)22-9-8-19(27)14-20(22)28)25(34)30-12-11-18-7-10-23(35-4)21(29)13-18/h5-10,13-14H,11-12H2,1-4H3,(H,30,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.48E+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