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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50091448'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50091448
PNG
((E)-N-(5-(4-(1H-indol-3-yl)piperidin-1-yl)pentyl)-...)
Show SMILES FC(F)(F)c1cccc(\C=C\C(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C28H32F3N3O/c29-28(30,31)23-8-6-7-21(19-23)11-12-27(35)32-15-4-1-5-16-34-17-13-22(14-18-34)25-20-33-26-10-3-2-9-24(25)26/h2-3,6-12,19-20,22,33H,1,4-5,13-18H2,(H,32,35)/b12-11+
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
790n/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))
BDBM50091448
PNG
((E)-N-(5-(4-(1H-indol-3-yl)piperidin-1-yl)pentyl)-...)
Show SMILES FC(F)(F)c1cccc(\C=C\C(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C28H32F3N3O/c29-28(30,31)23-8-6-7-21(19-23)11-12-27(35)32-15-4-1-5-16-34-17-13-22(14-18-34)25-20-33-26-10-3-2-9-24(25)26/h2-3,6-12,19-20,22,33H,1,4-5,13-18H2,(H,32,35)/b12-11+
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
790n/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