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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 = 'BDBM130511'   
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))
BDBM130511
PNG
(US8822460, 7 | US8822460, 9)
Show SMILES COC1COCCC1NC1CC2OCCC2(C1)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F
Show InChI InChI=1S/C24H31F3N2O4/c1-31-20-14-32-8-5-19(20)28-18-11-21-23(12-18,6-9-33-21)22(30)29-7-4-15-2-3-17(24(25,26)27)10-16(15)13-29/h2-3,10,18-21,28H,4-9,11-14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2n/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))
BDBM130511
PNG
(US8822460, 7 | US8822460, 9)
Show SMILES COC1COCCC1NC1CC2OCCC2(C1)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F
Show InChI InChI=1S/C24H31F3N2O4/c1-31-20-14-32-8-5-19(20)28-18-11-21-23(12-18,6-9-33-21)22(30)29-7-4-15-2-3-17(24(25,26)27)10-16(15)13-29/h2-3,10,18-21,28H,4-9,11-14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 9n/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