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BDBM50205175 2,6-dichloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl)benzamide::CHEMBL230189

SMILES: C[C@H](NC(=O)c1c(Cl)cccc1Cl)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N

InChI Key: InChIKey=ITGPVFUFPVABEZ-MGPUTAFESA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50205175   
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))
BDBM50205175
PNG
(2,6-dichloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cy...)
Show SMILES C[C@H](NC(=O)c1c(Cl)cccc1Cl)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C24H19Cl3N2O/c1-15(29-24(30)23-21(26)6-3-7-22(23)27)20(13-16-8-10-19(25)11-9-16)18-5-2-4-17(12-18)14-28/h2-12,15,20H,13H2,1H3,(H,29,30)/t15-,20+/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 945n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
BindingDB Entry DOI: 10.7270/Q2HM584G
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205175
PNG
(2,6-dichloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cy...)
Show SMILES C[C@H](NC(=O)c1c(Cl)cccc1Cl)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C24H19Cl3N2O/c1-15(29-24(30)23-21(26)6-3-7-22(23)27)20(13-16-8-10-19(25)11-9-16)18-5-2-4-17(12-18)14-28/h2-12,15,20H,13H2,1H3,(H,29,30)/t15-,20+/m0/s1
PDB

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Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 37.2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
BindingDB Entry DOI: 10.7270/Q2HM584G
More data for this
Ligand-Target Pair