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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 = 'BDBM50255171'   
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))
BDBM50255171
PNG
((+/-)-2-amino-N-(2-(5-(isopropylamino)-2-(4-(methy...)
Show SMILES CSc1ccc(cc1)C(=O)NC1CCC(CC1NC(=O)CNC(=O)c1cc(ccc1N)C(F)(F)F)NC(C)C
Show InChI InChI=1S/C27H34F3N5O3S/c1-15(2)33-18-7-11-22(35-25(37)16-4-8-19(39-3)9-5-16)23(13-18)34-24(36)14-32-26(38)20-12-17(27(28,29)30)6-10-21(20)31/h4-6,8-10,12,15,18,22-23,33H,7,11,13-14,31H2,1-3H3,(H,32,38)(H,34,36)(H,35,37)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human monocytes assessed as inhibition of MCP1-induced calcium influx by FLIPR


Bioorg Med Chem Lett 19: 597-601 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.062
BindingDB Entry DOI: 10.7270/Q2QF8SR1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50255171
PNG
((+/-)-2-amino-N-(2-(5-(isopropylamino)-2-(4-(methy...)
Show SMILES CSc1ccc(cc1)C(=O)NC1CCC(CC1NC(=O)CNC(=O)c1cc(ccc1N)C(F)(F)F)NC(C)C
Show InChI InChI=1S/C27H34F3N5O3S/c1-15(2)33-18-7-11-22(35-25(37)16-4-8-19(39-3)9-5-16)23(13-18)34-24(36)14-32-26(38)20-12-17(27(28,29)30)6-10-21(20)31/h4-6,8-10,12,15,18,22-23,33H,7,11,13-14,31H2,1-3H3,(H,32,38)(H,34,36)(H,35,37)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.80n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 597-601 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.062
BindingDB Entry DOI: 10.7270/Q2QF8SR1
More data for this
Ligand-Target Pair