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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Monomerid = 50153764   
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))
BDBM50153764
PNG
((Z)-1-((1S,2S)-2-((S)-hydroxy((R)-6-oxo-3,6-dihydr...)
Show SMILES CC(OC(=O)C=Cc1ccc(O)cc1)C(=O)[C@H]1C[C@@H]1[C@H](O)[C@H]1CC=CC(=O)O1
Show InChI InChI=1S/C21H22O7/c1-12(27-19(24)10-7-13-5-8-14(22)9-6-13)20(25)15-11-16(15)21(26)17-3-2-4-18(23)28-17/h2,4-10,12,15-17,21-22,26H,3,11H2,1H3/t12?,15-,16-,17+,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.20E+3n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MIP-1beta ligand of chemokine receptor 5 induced calcium signal in U-87-CCR5 cells by calcium mobilization assay


Bioorg Med Chem Lett 14: 5339-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.021
BindingDB Entry DOI: 10.7270/Q2SJ1K31
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50153764
PNG
((Z)-1-((1S,2S)-2-((S)-hydroxy((R)-6-oxo-3,6-dihydr...)
Show SMILES CC(OC(=O)C=Cc1ccc(O)cc1)C(=O)[C@H]1C[C@@H]1[C@H](O)[C@H]1CC=CC(=O)O1
Show InChI InChI=1S/C21H22O7/c1-12(27-19(24)10-7-13-5-8-14(22)9-6-13)20(25)15-11-16(15)21(26)17-3-2-4-18(23)28-17/h2,4-10,12,15-17,21-22,26H,3,11H2,1H3/t12?,15-,16-,17+,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of RANTES co-receptor of chemokine receptor 5 induced calcium signal in U-87-CCR5 cells by calcium mobilization assay


Bioorg Med Chem Lett 14: 5339-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.021
BindingDB Entry DOI: 10.7270/Q2SJ1K31
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50153764
PNG
((Z)-1-((1S,2S)-2-((S)-hydroxy((R)-6-oxo-3,6-dihydr...)
Show SMILES CC(OC(=O)C=Cc1ccc(O)cc1)C(=O)[C@H]1C[C@@H]1[C@H](O)[C@H]1CC=CC(=O)O1
Show InChI InChI=1S/C21H22O7/c1-12(27-19(24)10-7-13-5-8-14(22)9-6-13)20(25)15-11-16(15)21(26)17-3-2-4-18(23)28-17/h2,4-10,12,15-17,21-22,26H,3,11H2,1H3/t12?,15-,16-,17+,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MIP-1alpha ligand of chemokine receptor 5 induced calcium signal in U-87-CCR5 cells by calcium mobilization assay


Bioorg Med Chem Lett 14: 5339-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.021
BindingDB Entry DOI: 10.7270/Q2SJ1K31
More data for this
Ligand-Target Pair