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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 = 'BDBM50198120'   
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))
BDBM50198120
PNG
((R)-tert-butyl 4-(1-(3,5-bis(trifluoromethyl)benzy...)
Show SMILES CC(C)(C)OC(=O)Nc1nc(cs1)[C@@H](CCN1CCC(CC1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H36F6N4O3S/c1-30(2,3)45-29(44)41-28-40-26(19-46-28)25(11-14-42-12-9-22(10-13-42)21-7-5-4-6-8-21)27(43)39-18-20-15-23(31(33,34)35)17-24(16-20)32(36,37)38/h4-8,15-17,19,22,25H,9-14,18H2,1-3H3,(H,39,43)(H,40,41,44)/t25-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13.3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2b receptor


Bioorg Med Chem Lett 18: 1323-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.023
BindingDB Entry DOI: 10.7270/Q2SN08Q1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50198120
PNG
((R)-tert-butyl 4-(1-(3,5-bis(trifluoromethyl)benzy...)
Show SMILES CC(C)(C)OC(=O)Nc1nc(cs1)[C@@H](CCN1CCC(CC1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H36F6N4O3S/c1-30(2,3)45-29(44)41-28-40-26(19-46-28)25(11-14-42-12-9-22(10-13-42)21-7-5-4-6-8-21)27(43)39-18-20-15-23(31(33,34)35)17-24(16-20)32(36,37)38/h4-8,15-17,19,22,25H,9-14,18H2,1-3H3,(H,39,43)(H,40,41,44)/t25-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13.3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from human CCR2 expressed in monocytes


Bioorg Med Chem Lett 17: 309-14 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247
More data for this
Ligand-Target Pair