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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 590.3
BDBM50339967

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))
BDBM50339967
PNG
(CHEMBL1762313 | N-(3-(4-(benzyl(4-bromophenyl)amin...)
Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C28H31BrCl2N4O/c1-20(11-14-33-28(36)27-25(30)17-32-18-26(27)31)34-15-12-24(13-16-34)35(19-21-5-3-2-4-6-21)23-9-7-22(29)8-10-23/h2-10,17-18,20,24H,11-16,19H2,1H3,(H,33,36)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells


Bioorg Med Chem Lett 21: 2450-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50339967
PNG
(CHEMBL1762313 | N-(3-(4-(benzyl(4-bromophenyl)amin...)
Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C28H31BrCl2N4O/c1-20(11-14-33-28(36)27-25(30)17-32-18-26(27)31)34-15-12-24(13-16-34)35(19-21-5-3-2-4-6-21)23-9-7-22(29)8-10-23/h2-10,17-18,20,24H,11-16,19H2,1H3,(H,33,36)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 49n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...


Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair