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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 = 'BDBM50197984'   
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))
BDBM50197984
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]-[#7]-c1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C29H31Cl2N7O3/c1-41-28(40)24(7-4-11-35-29(32)33)36-27(39)10-12-34-26-17-25(20-13-21(30)16-22(31)14-20)37-38(26)23-9-8-18-5-2-3-6-19(18)15-23/h2-3,5-6,8-9,13-17,24,34H,4,7,10-12H2,1H3,(H,36,39)(H4,32,33,35)/t24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 43n/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))
BDBM50197984
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]-[#7]-c1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C29H31Cl2N7O3/c1-41-28(40)24(7-4-11-35-29(32)33)36-27(39)10-12-34-26-17-25(20-13-21(30)16-22(31)14-20)37-38(26)23-9-8-18-5-2-3-6-19(18)15-23/h2-3,5-6,8-9,13-17,24,34H,4,7,10-12H2,1H3,(H,36,39)(H4,32,33,35)/t24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 68n/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