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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 5' and Ligand = 'BDBM50387957'   
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 5


(Homo sapiens (Human))
BDBM50387957
PNG
(CHEMBL2057813)
Show SMILES CCCCCCCC\C=C/c1c2CCC[n+]2c(C)c(\C=C\CCCCCCCC)c1C
Show InChI InChI=1S/C30H50N/c1-5-7-9-11-13-15-17-19-22-28-26(3)29(30-24-21-25-31(30)27(28)4)23-20-18-16-14-12-10-8-6-2/h19-20,22-23H,5-18,21,24-25H2,1-4H3/q+1/b22-19+,23-20-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.20E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based ...


Eur J Med Chem 55: 395-408 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.049
BindingDB Entry DOI: 10.7270/Q2Q2419S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50387957
PNG
(CHEMBL2057813)
Show SMILES CCCCCCCC\C=C/c1c2CCC[n+]2c(C)c(\C=C\CCCCCCCC)c1C
Show InChI InChI=1S/C30H50N/c1-5-7-9-11-13-15-17-19-22-28-26(3)29(30-24-21-25-31(30)27(28)4)23-20-18-16-14-12-10-8-6-2/h19-20,22-23H,5-18,21,24-25H2,1-4H3/q+1/b22-19+,23-20-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.20E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 receptor expressed in human MOLT4 cells assessed as inhibition of CCl5-induced calcium mobilization after 1 hr by Fluor-4...


Bioorg Med Chem Lett 22: 5093-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.127
BindingDB Entry DOI: 10.7270/Q2K075B3
More data for this
Ligand-Target Pair