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BDBM50301043 CHEMBL569614::N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl)-2-(3-(dimethylamino)propylamino)-2-methylpropanamide

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

InChI Key: InChIKey=OCZZZBSQIGLPHN-YADARESESA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50301043   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301043
PNG
(CHEMBL569614 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES C[C@H](NC(=O)C(C)(C)NCCCN(C)C)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C26H35ClN4O/c1-19(30-25(32)26(2,3)29-14-7-15-31(4)5)24(17-20-10-12-23(27)13-11-20)22-9-6-8-21(16-22)18-28/h6,8-13,16,19,24,29H,7,14-15,17H2,1-5H3,(H,30,32)/t19-,24+/m0/s1
PDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2.59E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5195-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50301043
PNG
(CHEMBL569614 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES C[C@H](NC(=O)C(C)(C)NCCCN(C)C)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C26H35ClN4O/c1-19(30-25(32)26(2,3)29-14-7-15-31(4)5)24(17-20-10-12-23(27)13-11-20)22-9-6-8-21(16-22)18-28/h6,8-13,16,19,24,29H,7,14-15,17H2,1-5H3,(H,30,32)/t19-,24+/m0/s1
PDB

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Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.98E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5195-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH
More data for this
Ligand-Target Pair