BindingDB logo
myBDB logout

BDBM50091439 (E)-N-(5-(4-(1H-indol-3-yl)piperidin-1-yl)pentyl)cinnamamide::(E)-N-{5-[4-(1H-Indol-3-yl)-piperidin-1-yl]-pentyl}-3-phenyl-acrylamide::CHEMBL53402

SMILES: O=C(NCCCCCN1CCC(CC1)c1c[nH]c2ccccc12)\C=C\c1ccccc1

InChI Key: InChIKey=YWVZCEVJTVXYGG-BUHFOSPRSA-N

Data: 2 KI

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 = 50091439   
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 2


(Homo sapiens (Human))
BDBM50091439
PNG
((E)-N-(5-(4-(1H-indol-3-yl)piperidin-1-yl)pentyl)c...)
Show SMILES O=C(NCCCCCN1CCC(CC1)c1c[nH]c2ccccc12)\C=C\c1ccccc1
Show InChI InChI=1S/C27H33N3O/c31-27(14-13-22-9-3-1-4-10-22)28-17-7-2-8-18-30-19-15-23(16-20-30)25-21-29-26-12-6-5-11-24(25)26/h1,3-6,9-14,21,23,29H,2,7-8,15-20H2,(H,28,31)/b14-13+
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
870n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor


Bioorg Med Chem Lett 18: 1450-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.072
BindingDB Entry DOI: 10.7270/Q26T0MC4
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091439
PNG
((E)-N-(5-(4-(1H-indol-3-yl)piperidin-1-yl)pentyl)c...)
Show SMILES O=C(NCCCCCN1CCC(CC1)c1c[nH]c2ccccc12)\C=C\c1ccccc1
Show InChI InChI=1S/C27H33N3O/c31-27(14-13-22-9-3-1-4-10-22)28-17-7-2-8-18-30-19-15-23(16-20-30)25-21-29-26-12-6-5-11-24(25)26/h1,3-6,9-14,21,23,29H,2,7-8,15-20H2,(H,28,31)/b14-13+
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
870n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair