BindingDB logo
myBDB logout

BDBM50430275 CHEMBL2332933

SMILES: CC(=O)Nc1ccc(F)cc1OC[C@@H](O)CN1CCC2(Cc3cc(F)ccc3O2)CC1

InChI Key: InChIKey=MQFZZRAWHHBMEC-IBGZPJMESA-N

Data: 1 IC50

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 = 50430275   
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 1


(Homo sapiens (Human))
BDBM50430275
PNG
(CHEMBL2332933)
Show SMILES CC(=O)Nc1ccc(F)cc1OC[C@@H](O)CN1CCC2(Cc3cc(F)ccc3O2)CC1 |r|
Show InChI InChI=1S/C23H26F2N2O4/c1-15(28)26-20-4-2-18(25)11-22(20)30-14-19(29)13-27-8-6-23(7-9-27)12-16-10-17(24)3-5-21(16)31-23/h2-5,10-11,19,29H,6-9,12-14H2,1H3,(H,26,28)/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.360n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells after 1.5 hrs


Bioorg Med Chem Lett 23: 1883-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.095
BindingDB Entry DOI: 10.7270/Q2BG2QBG
More data for this
Ligand-Target Pair