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BDBM50319447 (R)-4,6-dimethyl-5-(4'-methyl-4-(2-oxo-5-phenyl-3-((tetrahydro-2H-pyran-4-yl)methyl)imidazolidin-1-yl)-1,4'-bipiperidine-1'-carbonyl)picolinonitrile::CHEMBL1085225

SMILES: Cc1cc(nc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@@H](CN(CC2CCOCC2)C1=O)c1ccccc1)C#N

InChI Key: InChIKey=VCDAYNSEVSLHGF-GUZXWJHPNA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50319447   
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))
BDBM50319447
PNG
((R)-4,6-dimethyl-5-(4'-methyl-4-(2-oxo-5-phenyl-3-...)
Show SMILES Cc1cc(nc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@@H](CN(CC2CCOCC2)C1=O)c1ccccc1)C#N
Show InChI InChI=1/C35H46N6O3/c1-25-21-29(22-36)37-26(2)32(25)33(42)38-17-13-35(3,14-18-38)40-15-9-30(10-16-40)41-31(28-7-5-4-6-8-28)24-39(34(41)43)23-27-11-19-44-20-12-27/h4-8,21,27,30-31H,9-20,23-24H2,1-3H3/t31-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Binding affinity at CCR5 receptor by radiolabelled RANTES binding assay


Bioorg Med Chem Lett 20: 3219-22 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.077
BindingDB Entry DOI: 10.7270/Q2FT8M63
More data for this
Ligand-Target Pair