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BDBM50157000 CHEMBL180155::N-Allyl-N-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-2-(4-methanesulfonyl-phenyl)-acetamide::N-allyl-N-(1-(3,3-diphenylpropyl)piperidin-4-yl)-2-(4-(methylsulfonyl)phenyl)acetamide

SMILES: CS(=O)(=O)c1ccc(CC(=O)N(CC=C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1

InChI Key: InChIKey=FVSFZNKZAWLBHE-UHFFFAOYSA-N

Data: 2 IC50

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 = 50157000   
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
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50157000
PNG
(CHEMBL180155 | N-Allyl-N-[1-(3,3-diphenyl-propyl)-...)
Show SMILES CS(=O)(=O)c1ccc(CC(=O)N(CC=C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C32H38N2O3S/c1-3-21-34(32(35)25-26-14-16-30(17-15-26)38(2,36)37)29-18-22-33(23-19-29)24-20-31(27-10-6-4-7-11-27)28-12-8-5-9-13-28/h3-17,29,31H,1,18-25H2,2H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells


Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50157000
PNG
(CHEMBL180155 | N-Allyl-N-[1-(3,3-diphenyl-propyl)-...)
Show SMILES CS(=O)(=O)c1ccc(CC(=O)N(CC=C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C32H38N2O3S/c1-3-21-34(32(35)25-26-14-16-30(17-15-26)38(2,36)37)29-18-22-33(23-19-29)24-20-31(27-10-6-4-7-11-27)28-12-8-5-9-13-28/h3-17,29,31H,1,18-25H2,2H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 37n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding of [125I]-RANTES to membranes prepared from chinese hamster ovary (CHO) cells stably expressing recombinant human C-C chemokine receptor type...


Bioorg Med Chem Lett 15: 25-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.044
BindingDB Entry DOI: 10.7270/Q2833RJJ
More data for this
Ligand-Target Pair