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BDBM50298966 CHEMBL572613::N-(4-Chlorophenyl)1-(2,4-dichlorophenyl)-4-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide

SMILES: Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1

InChI Key: InChIKey=IYCKLSMGGKQPDY-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 = 50298966   
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))
BDBM50298966
PNG
(CHEMBL572613 | N-(4-Chlorophenyl)1-(2,4-dichloroph...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H15Cl3N4O/c1-13-19(20(29)25-16-7-4-14(22)5-8-16)26-28(21(13)27-10-2-3-11-27)18-9-6-15(23)12-17(18)24/h2-12H,1H3,(H,25,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
80n/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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298966
PNG
(CHEMBL572613 | N-(4-Chlorophenyl)1-(2,4-dichloroph...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H15Cl3N4O/c1-13-19(20(29)25-16-7-4-14(22)5-8-16)26-28(21(13)27-10-2-3-11-27)18-9-6-15(23)12-17(18)24/h2-12H,1H3,(H,25,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
120n/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