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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 567.1
BDBM50445447

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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))
BDBM50445447
PNG
(CHEMBL3104694)
Show SMILES CCN(C1CCN(CCCN(C(=O)C2CCN(CC2)C(C)=O)c2cccc(Cl)c2)CC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C32H43ClN4O3/c1-3-36(31(39)23-26-9-5-4-6-10-26)29-15-19-34(20-16-29)17-8-18-37(30-12-7-11-28(33)24-30)32(40)27-13-21-35(22-14-27)25(2)38/h4-7,9-12,24,27,29H,3,8,13-23H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in CHO cell membranes assessed as inhibition of RANTES-stimulated [35S]-GTPgammaS binding afte...


Eur J Med Chem 71: 259-66 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.013
BindingDB Entry DOI: 10.7270/Q29G5P9F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50445447
PNG
(CHEMBL3104694)
Show SMILES CCN(C1CCN(CCCN(C(=O)C2CCN(CC2)C(C)=O)c2cccc(Cl)c2)CC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C32H43ClN4O3/c1-3-36(31(39)23-26-9-5-4-6-10-26)29-15-19-34(20-16-29)17-8-18-37(30-12-7-11-28(33)24-30)32(40)27-13-21-35(22-14-27)25(2)38/h4-7,9-12,24,27,29H,3,8,13-23H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 252n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of CCR5 (unknown origin) expressed in CHO cells assessed as inhibition of RANTES-induced intracellular Ca2+ mobilization after 10 mins by ...


Eur J Med Chem 71: 259-66 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.013
BindingDB Entry DOI: 10.7270/Q29G5P9F
More data for this
Ligand-Target Pair