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BDBM50276808 CHEMBL460009::N-((1S)-3-(4-(2-oxo-4-phenyl-2,3-dihydro-1H-imidazol-1-yl)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide

SMILES: CC(C[C@H](NC(=O)C1CCC1)c1ccccc1)N1CCC(CC1)n1cc([nH]c1=O)-c1ccccc1

InChI Key: InChIKey=YUQVDSNVEXLLAE-UQTORGHUSA-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 = 50276808   
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))
BDBM50276808
PNG
(CHEMBL460009 | N-((1S)-3-(4-(2-oxo-4-phenyl-2,3-di...)
Show SMILES CC(C[C@H](NC(=O)C1CCC1)c1ccccc1)N1CCC(CC1)n1cc([nH]c1=O)-c1ccccc1 |r|
Show InChI InChI=1S/C29H36N4O2/c1-21(19-26(22-9-4-2-5-10-22)30-28(34)24-13-8-14-24)32-17-15-25(16-18-32)33-20-27(31-29(33)35)23-11-6-3-7-12-23/h2-7,9-12,20-21,24-26H,8,13-19H2,1H3,(H,30,34)(H,31,35)/t21?,26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.31E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1075-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.009
BindingDB Entry DOI: 10.7270/Q27M08VH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50276808
PNG
(CHEMBL460009 | N-((1S)-3-(4-(2-oxo-4-phenyl-2,3-di...)
Show SMILES CC(C[C@H](NC(=O)C1CCC1)c1ccccc1)N1CCC(CC1)n1cc([nH]c1=O)-c1ccccc1 |r|
Show InChI InChI=1S/C29H36N4O2/c1-21(19-26(22-9-4-2-5-10-22)30-28(34)24-13-8-14-24)32-17-15-25(16-18-32)33-20-27(31-29(33)35)23-11-6-3-7-12-23/h2-7,9-12,20-21,24-26H,8,13-19H2,1H3,(H,30,34)(H,31,35)/t21?,26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 1075-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.009
BindingDB Entry DOI: 10.7270/Q27M08VH
More data for this
Ligand-Target Pair