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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 = 'BDBM50091467'   
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))
BDBM50091467
PNG
((E)-N-(5-(4-(1H-indol-3-yl)piperidin-1-yl)pentyl)-...)
Show SMILES Cc1cccc(\C=C\C(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C28H35N3O/c1-22-8-7-9-23(20-22)12-13-28(32)29-16-5-2-6-17-31-18-14-24(15-19-31)26-21-30-27-11-4-3-10-25(26)27/h3-4,7-13,20-21,24,30H,2,5-6,14-19H2,1H3,(H,29,32)/b13-12+
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))
BDBM50091467
PNG
((E)-N-(5-(4-(1H-indol-3-yl)piperidin-1-yl)pentyl)-...)
Show SMILES Cc1cccc(\C=C\C(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C28H35N3O/c1-22-8-7-9-23(20-22)12-13-28(32)29-16-5-2-6-17-31-18-14-24(15-19-31)26-21-30-27-11-4-3-10-25(26)27/h3-4,7-13,20-21,24,30H,2,5-6,14-19H2,1H3,(H,29,32)/b13-12+
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