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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50197993'   
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))
BDBM50197993
PNG
((S)-2-{3-[5-(3,5-dichloro-phenyl)-2-naphthalen-2-y...)
Show SMILES [#6]-[#8]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#8]-c1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C29H30Cl2N6O4/c1-40-28(39)24(7-4-11-34-29(32)33)35-26(38)10-12-41-27-17-25(20-13-21(30)16-22(31)14-20)36-37(27)23-9-8-18-5-2-3-6-19(18)15-23/h2-3,5-6,8-9,13-17,24H,4,7,10-12H2,1H3,(H,35,38)(H4,32,33,34)/t24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 61.9n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of CCR2


Eur J Med Chem 45: 3394-406 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.024
BindingDB Entry DOI: 10.7270/Q2JQ1275
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50197993
PNG
((S)-2-{3-[5-(3,5-dichloro-phenyl)-2-naphthalen-2-y...)
Show SMILES [#6]-[#8]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#8]-c1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C29H30Cl2N6O4/c1-40-28(39)24(7-4-11-34-29(32)33)35-26(38)10-12-41-27-17-25(20-13-21(30)16-22(31)14-20)36-37(27)23-9-8-18-5-2-3-6-19(18)15-23/h2-3,5-6,8-9,13-17,24H,4,7,10-12H2,1H3,(H,35,38)(H4,32,33,34)/t24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 62n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-hMCP1 from CCR2 expressed in human peripheral blood monocytes after 60 mins


Bioorg Med Chem Lett 17: 807-13 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.060
BindingDB Entry DOI: 10.7270/Q2P84BJD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50197993
PNG
((S)-2-{3-[5-(3,5-dichloro-phenyl)-2-naphthalen-2-y...)
Show SMILES [#6]-[#8]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#8]-c1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C29H30Cl2N6O4/c1-40-28(39)24(7-4-11-34-29(32)33)35-26(38)10-12-41-27-17-25(20-13-21(30)16-22(31)14-20)36-37(27)23-9-8-18-5-2-3-6-19(18)15-23/h2-3,5-6,8-9,13-17,24H,4,7,10-12H2,1H3,(H,35,38)(H4,32,33,34)/t24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 118n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR2 receptor assessed as inhibition of MCP1-induced migration of human peripheral blood monocytes


Bioorg Med Chem Lett 17: 807-13 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.060
BindingDB Entry DOI: 10.7270/Q2P84BJD
More data for this
Ligand-Target Pair