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BDBM50114683 5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-methyl-1H-pyrazole-3-carboxylic acid N'-methyl-hydrazide::CHEMBL88548

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

InChI Key: InChIKey=ABGHTQVGZLITLA-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50114683   
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))
BDBM50114683
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES CNNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H15Cl3N4O/c1-10-16(18(26)23-22-2)24-25(15-8-7-13(20)9-14(15)21)17(10)11-3-5-12(19)6-4-11/h3-9,22H,1-2H3,(H,23,26)
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PC cid
PC sid
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Similars

PubMed
429n/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 1


(Rattus norvegicus (rat))
BDBM50114683
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES CNNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H15Cl3N4O/c1-10-16(18(26)23-22-2)24-25(15-8-7-13(20)9-14(15)21)17(10)11-3-5-12(19)6-4-11/h3-9,22H,1-2H3,(H,23,26)
PDB

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PC cid
PC sid
UniChem

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PubMed
555n/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 2


(Homo sapiens (Human))
BDBM50114683
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES CNNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H15Cl3N4O/c1-10-16(18(26)23-22-2)24-25(15-8-7-13(20)9-14(15)21)17(10)11-3-5-12(19)6-4-11/h3-9,22H,1-2H3,(H,23,26)
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PC cid
PC sid
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PubMed
6.66E+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