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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM130505'   
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))
BDBM130505
PNG
(US8822460, 1 | US8822460, 2 | US8822460, 3 | US882...)
Show SMILES COC1COCCC1NC1CC2OCCC2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F
Show InChI InChI=1S/C23H30F3N3O4/c1-31-19-13-32-6-3-18(19)28-16-9-20-22(10-16,4-7-33-20)21(30)29-5-2-17-14(12-29)8-15(11-27-17)23(24,25)26/h8,11,16,18-20,28H,2-7,9-10,12-13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 7n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
THP-1 (cells were incubated with 0.5 nM 125I labeled MCP-1 (Perkin-Elmer Life Sciences, Inc. Boston, Mass.) in the presence of varying concentrations...


US Patent US8822460 (2014)


BindingDB Entry DOI: 10.7270/Q208641R
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM130505
PNG
(US8822460, 1 | US8822460, 2 | US8822460, 3 | US882...)
Show SMILES COC1COCCC1NC1CC2OCCC2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F
Show InChI InChI=1S/C23H30F3N3O4/c1-31-19-13-32-6-3-18(19)28-16-9-20-22(10-16,4-7-33-20)21(30)29-5-2-17-14(12-29)8-15(11-27-17)23(24,25)26/h8,11,16,18-20,28H,2-7,9-10,12-13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 11n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
THP-1 (cells were incubated with 0.5 nM 125I labeled MCP-1 (Perkin-Elmer Life Sciences, Inc. Boston, Mass.) in the presence of varying concentrations...


US Patent US8822460 (2014)


BindingDB Entry DOI: 10.7270/Q208641R
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM130505
PNG
(US8822460, 1 | US8822460, 2 | US8822460, 3 | US882...)
Show SMILES COC1COCCC1NC1CC2OCCC2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F
Show InChI InChI=1S/C23H30F3N3O4/c1-31-19-13-32-6-3-18(19)28-16-9-20-22(10-16,4-7-33-20)21(30)29-5-2-17-14(12-29)8-15(11-27-17)23(24,25)26/h8,11,16,18-20,28H,2-7,9-10,12-13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 16n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
THP-1 (cells were incubated with 0.5 nM 125I labeled MCP-1 (Perkin-Elmer Life Sciences, Inc. Boston, Mass.) in the presence of varying concentrations...


US Patent US8822460 (2014)


BindingDB Entry DOI: 10.7270/Q208641R
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM130505
PNG
(US8822460, 1 | US8822460, 2 | US8822460, 3 | US882...)
Show SMILES COC1COCCC1NC1CC2OCCC2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F
Show InChI InChI=1S/C23H30F3N3O4/c1-31-19-13-32-6-3-18(19)28-16-9-20-22(10-16,4-7-33-20)21(30)29-5-2-17-14(12-29)8-15(11-27-17)23(24,25)26/h8,11,16,18-20,28H,2-7,9-10,12-13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 93n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
THP-1 (cells were incubated with 0.5 nM 125I labeled MCP-1 (Perkin-Elmer Life Sciences, Inc. Boston, Mass.) in the presence of varying concentrations...


US Patent US8822460 (2014)


BindingDB Entry DOI: 10.7270/Q208641R
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM130505
PNG
(US8822460, 1 | US8822460, 2 | US8822460, 3 | US882...)
Show SMILES COC1COCCC1NC1CC2OCCC2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F
Show InChI InChI=1S/C23H30F3N3O4/c1-31-19-13-32-6-3-18(19)28-16-9-20-22(10-16,4-7-33-20)21(30)29-5-2-17-14(12-29)8-15(11-27-17)23(24,25)26/h8,11,16,18-20,28H,2-7,9-10,12-13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 170n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
THP-1 (cells were incubated with 0.5 nM 125I labeled MCP-1 (Perkin-Elmer Life Sciences, Inc. Boston, Mass.) in the presence of varying concentrations...


US Patent US8822460 (2014)


BindingDB Entry DOI: 10.7270/Q208641R
More data for this
Ligand-Target Pair