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BDBM50312822 (R)-1-(4-chlorophenyl)-N-methyl-5-phenyl-N'-(4-(trifluoromethyl)piperidin-1-ylsulfonyl)-4,5-dihydro-1H-pyrazole-3-carboximidamide::CHEMBL1080156

SMILES: CNC(=NS(=O)(=O)N1CCC(CC1)C(F)(F)F)C1=NN([C@H](C1)c1ccccc1)c1ccc(Cl)cc1

InChI Key: InChIKey=RKNXIUHKWMPMBY-OAQYLSRUSA-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 = 50312822   
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))
BDBM50312822
PNG
((R)-1-(4-chlorophenyl)-N-methyl-5-phenyl-N'-(4-(tr...)
Show SMILES CNC(=NS(=O)(=O)N1CCC(CC1)C(F)(F)F)C1=NN([C@H](C1)c1ccccc1)c1ccc(Cl)cc1 |r,w:3.3,t:18|
Show InChI InChI=1S/C23H25ClF3N5O2S/c1-28-22(30-35(33,34)31-13-11-17(12-14-31)23(25,26)27)20-15-21(16-5-3-2-4-6-16)32(29-20)19-9-7-18(24)8-10-19/h2-10,17,21H,11-15H2,1H3,(H,28,30)/t21-/m1/s1
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PC cid
PC sid
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Article
PubMed
2n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human cannabinoid CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1752-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.049
BindingDB Entry DOI: 10.7270/Q2736RWV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50312822
PNG
((R)-1-(4-chlorophenyl)-N-methyl-5-phenyl-N'-(4-(tr...)
Show SMILES CNC(=NS(=O)(=O)N1CCC(CC1)C(F)(F)F)C1=NN([C@H](C1)c1ccccc1)c1ccc(Cl)cc1 |r,w:3.3,t:18|
Show InChI InChI=1S/C23H25ClF3N5O2S/c1-28-22(30-35(33,34)31-13-11-17(12-14-31)23(25,26)27)20-15-21(16-5-3-2-4-6-16)32(29-20)19-9-7-18(24)8-10-19/h2-10,17,21H,11-15H2,1H3,(H,28,30)/t21-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
584n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human cannabinoid CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1752-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.049
BindingDB Entry DOI: 10.7270/Q2736RWV
More data for this
Ligand-Target Pair