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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50409950'   
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))
BDBM50409950
PNG
(CHEMBL2096788)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC[C@H]1CCCN1Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H23ClF3N3O2/c23-18-8-6-15(7-9-18)14-29-10-2-5-19(29)12-27-20(30)13-28-21(31)16-3-1-4-17(11-16)22(24,25)26/h1,3-4,6-9,11,19H,2,5,10,12-14H2,(H,27,30)(H,28,31)/t19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 570n/an/an/an/an/an/a



Deltagen Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-MCP-1 binding to Chemokine receptor 2B


Bioorg Med Chem Lett 14: 5413-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.009
BindingDB Entry DOI: 10.7270/Q2W958PZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50409950
PNG
(CHEMBL2096788)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC[C@H]1CCCN1Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H23ClF3N3O2/c23-18-8-6-15(7-9-18)14-29-10-2-5-19(29)12-27-20(30)13-28-21(31)16-3-1-4-17(11-16)22(24,25)26/h1,3-4,6-9,11,19H,2,5,10,12-14H2,(H,27,30)(H,28,31)/t19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 570n/an/an/an/an/an/a



Deltagen Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-MCP-1 binding to Chemokine receptor 2B


Bioorg Med Chem Lett 14: 5413-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.009
BindingDB Entry DOI: 10.7270/Q2W958PZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50409950
PNG
(CHEMBL2096788)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC[C@H]1CCCN1Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H23ClF3N3O2/c23-18-8-6-15(7-9-18)14-29-10-2-5-19(29)12-27-20(30)13-28-21(31)16-3-1-4-17(11-16)22(24,25)26/h1,3-4,6-9,11,19H,2,5,10,12-14H2,(H,27,30)(H,28,31)/t19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 810n/an/an/an/a



Deltagen Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MCP-1 induced chemotaxis in THP-1 cells


Bioorg Med Chem Lett 14: 5413-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.009
BindingDB Entry DOI: 10.7270/Q2W958PZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50409950
PNG
(CHEMBL2096788)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC[C@H]1CCCN1Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H23ClF3N3O2/c23-18-8-6-15(7-9-18)14-29-10-2-5-19(29)12-27-20(30)13-28-21(31)16-3-1-4-17(11-16)22(24,25)26/h1,3-4,6-9,11,19H,2,5,10,12-14H2,(H,27,30)(H,28,31)/t19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 810n/an/an/an/a



Deltagen Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MCP-1 induced chemotaxis in THP-1 cells


Bioorg Med Chem Lett 14: 5413-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.009
BindingDB Entry DOI: 10.7270/Q2W958PZ
More data for this
Ligand-Target Pair