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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 = 'BDBM50378978'   
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))
BDBM50378978
PNG
(CHEMBL2011440)
Show SMILES COc1nc(Cl)c(Cl)nc1NS(=O)(=O)c1ccc(Cl)s1
Show InChI InChI=1S/C9H6Cl3N3O3S2/c1-18-9-8(13-6(11)7(12)14-9)15-20(16,17)5-3-2-4(10)19-5/h2-3H,1H3,(H,13,15)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.75E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to C-terminus C9-tagged immobilized CCR5 by SPR analysis


ACS Med Chem Lett 2: 549-554 (2011)


Article DOI: 10.1021/ml2000017
BindingDB Entry DOI: 10.7270/Q2X0682G
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50378978
PNG
(CHEMBL2011440)
Show SMILES COc1nc(Cl)c(Cl)nc1NS(=O)(=O)c1ccc(Cl)s1
Show InChI InChI=1S/C9H6Cl3N3O3S2/c1-18-9-8(13-6(11)7(12)14-9)15-20(16,17)5-3-2-4(10)19-5/h2-3H,1H3,(H,13,15)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.08E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to C-terminus C9-tagged immobilized CCR5 after 1 min by SPR assay


ACS Med Chem Lett 2: 549-554 (2011)


Article DOI: 10.1021/ml2000017
BindingDB Entry DOI: 10.7270/Q2X0682G
More data for this
Ligand-Target Pair