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BDBM50114671 5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-methyl-1H-pyrazole-3-carboxylic acid ethylamide::CHEMBL90026

SMILES: CCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=SHOWUJOJRJIEAH-UHFFFAOYSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50114671   
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


(Rattus norvegicus (rat))
BDBM50114671
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES CCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H16Cl3N3O/c1-3-23-19(26)17-11(2)18(12-4-6-13(20)7-5-12)25(24-17)16-9-8-14(21)10-15(16)22/h4-10H,3H2,1-2H3,(H,23,26)
PDB

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PC cid
PC sid
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Similars

PubMed
46.3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity in a competition assay by displacement of [3H]- CP 55 940 from Cannabinoid receptor 1 in rat whole brain membrane preparation


J Med Chem 45: 2708-19 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3DQW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50114671
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES CCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H16Cl3N3O/c1-3-23-19(26)17-11(2)18(12-4-6-13(20)7-5-12)25(24-17)16-9-8-14(21)10-15(16)22/h4-10H,3H2,1-2H3,(H,23,26)
PDB

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PC cid
PC sid
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PubMed
61.5n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity in a competition assay by displacement of [3H]- SR-141,716 from Cannabinoid receptor 1 in rat whole brain membrane preparation


J Med Chem 45: 2708-19 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3DQW
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50114671
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES CCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H16Cl3N3O/c1-3-23-19(26)17-11(2)18(12-4-6-13(20)7-5-12)25(24-17)16-9-8-14(21)10-15(16)22/h4-10H,3H2,1-2H3,(H,23,26)
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PC cid
PC sid
UniChem

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PubMed
3.11E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at cannabinoid receptor 2 in a competition assay with [3H]-CP- 55 940 as radioligand


J Med Chem 45: 2708-19 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3DQW
More data for this
Ligand-Target Pair