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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 = 'BDBM50249466'   
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))
BDBM50249466
PNG
((R)-2-((3S,4S)-3-((4-(2-benzyloxazol-5-yl)piperidi...)
Show SMILES OC(=O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)o2)[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C32H39N3O3/c36-32(37)29(17-24-11-12-24)35-21-27(28(22-35)25-9-5-2-6-10-25)20-34-15-13-26(14-16-34)30-19-33-31(38-30)18-23-7-3-1-4-8-23/h1-10,19,24,26-29H,11-18,20-22H2,(H,36,37)/t27-,28+,29+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand


Bioorg Med Chem Lett 14: 3419-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.078
BindingDB Entry DOI: 10.7270/Q2X63MD1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50249466
PNG
((R)-2-((3S,4S)-3-((4-(2-benzyloxazol-5-yl)piperidi...)
Show SMILES OC(=O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)o2)[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C32H39N3O3/c36-32(37)29(17-24-11-12-24)35-21-27(28(22-35)25-9-5-2-6-10-25)20-34-15-13-26(14-16-34)30-19-33-31(38-30)18-23-7-3-1-4-8-23/h1-10,19,24,26-29H,11-18,20-22H2,(H,36,37)/t27-,28+,29+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.60n/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