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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM64740'   
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))
BDBM64740
PNG
(2,9-dimethyl-1,10-phenanthroline | MLS001194484 | ...)
Show SMILES Cc1ccc2ccc3ccc(C)nc3c2n1
Show InChI InChI=1S/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3 from human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr after 3 hrs


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM64740
PNG
(2,9-dimethyl-1,10-phenanthroline | MLS001194484 | ...)
Show SMILES Cc1ccc2ccc3ccc(C)nc3c2n1
Show InChI InChI=1S/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.16E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3 from human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr after 3 hrs


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM64740
PNG
(2,9-dimethyl-1,10-phenanthroline | MLS001194484 | ...)
Show SMILES Cc1ccc2ccc3ccc(C)nc3c2n1
Show InChI InChI=1S/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.70E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation coun...


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM64740
PNG
(2,9-dimethyl-1,10-phenanthroline | MLS001194484 | ...)
Show SMILES Cc1ccc2ccc3ccc(C)nc3c2n1
Show InChI InChI=1S/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.31E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation coun...


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair