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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 Monomerid = 50141860   
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))
BDBM50141860
PNG
((R)-2-((3S,4S)-3-((4-(3-benzyl-1-propyl-1H-pyrazol...)
Show SMILES CCCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1
Show InChI InChI=1/C37H50N4O2/c1-2-20-41-35(24-33(38-41)23-28-12-6-3-7-13-28)30-18-21-39(22-19-30)25-32-26-40(27-34(32)29-14-8-4-9-15-29)36(37(42)43)31-16-10-5-11-17-31/h3-4,6-9,12-15,24,30-32,34,36H,2,5,10-11,16-23,25-27H2,1H3,(H,42,43)/t32-,34+,36+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50141860
PNG
((R)-2-((3S,4S)-3-((4-(3-benzyl-1-propyl-1H-pyrazol...)
Show SMILES CCCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1
Show InChI InChI=1/C37H50N4O2/c1-2-20-41-35(24-33(38-41)23-28-12-6-3-7-13-28)30-18-21-39(22-19-30)25-32-26-40(27-34(32)29-14-8-4-9-15-29)36(37(42)43)31-16-10-5-11-17-31/h3-4,6-9,12-15,24,30-32,34,36H,2,5,10-11,16-23,25-27H2,1H3,(H,42,43)/t32-,34+,36+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human CC chemokine receptor 5


Bioorg Med Chem Lett 14: 935-9 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.004
BindingDB Entry DOI: 10.7270/Q2PK0FKP
More data for this
Ligand-Target Pair