BindingDB logo
myBDB logout

null

SMILES: [H][C@@]12C[C@H](C[C@@]1(CCO2)C(=O)N1COc2ccc(cc2C1)C(F)(F)F)N[C@@]1([H])CCOC[C@H]1OC

InChI Key: InChIKey=ARUZBCPDBNETAH-HTJFHPCASA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50011990   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50011990
PNG
(CHEMBL3263272)
Show SMILES [H][C@@]12C[C@H](C[C@@]1(CCO2)C(=O)N1COc2ccc(cc2C1)C(F)(F)F)N[C@@]1([H])CCOC[C@H]1OC |r|
Show InChI InChI=1S/C23H29F3N2O5/c1-30-19-12-31-6-4-17(19)27-16-9-20-22(10-16,5-7-32-20)21(29)28-11-14-8-15(23(24,25)26)2-3-18(14)33-13-28/h2-3,8,16-17,19-20,27H,4-7,9-13H2,1H3/t16-,17+,19-,20-,22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.60n/an/an/an/an/an/a



Janssen Research and Development, LLC

Curated by ChEMBL


Assay Description
Displacement of labeled MCP-1 from human CCR2 expressed in THP1 cells


Bioorg Med Chem Lett 24: 2137-40 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.036
BindingDB Entry DOI: 10.7270/Q2TH8P7P
More data for this
Ligand-Target Pair