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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 = 50119344   
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))
BDBM50119344
PNG
((S)-methyl 2-cyclohexyl-2-((3S,4S)-3-((4-hydroxy-4...)
Show SMILES COC(=O)[C@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1
Show InChI InChI=1S/C34H48N2O3/c1-39-33(37)32(29-17-9-4-10-18-29)36-25-30(31(26-36)28-15-7-3-8-16-28)24-35-22-20-34(38,21-23-35)19-11-14-27-12-5-2-6-13-27/h2-3,5-8,12-13,15-16,29-32,38H,4,9-11,14,17-26H2,1H3/t30-,31+,32-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 4n/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))
BDBM50119344
PNG
((S)-methyl 2-cyclohexyl-2-((3S,4S)-3-((4-hydroxy-4...)
Show SMILES COC(=O)[C@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1
Show InChI InChI=1S/C34H48N2O3/c1-39-33(37)32(29-17-9-4-10-18-29)36-25-30(31(26-36)28-15-7-3-8-16-28)24-35-22-20-34(38,21-23-35)19-11-14-27-12-5-2-6-13-27/h2-3,5-8,12-13,15-16,29-32,38H,4,9-11,14,17-26H2,1H3/t30-,31+,32-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at CCR5 receptor in the presence of [125I]-MIP-1 alpha.


Bioorg Med Chem Lett 12: 3001-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00606-6
BindingDB Entry DOI: 10.7270/Q2MK6C71
More data for this
Ligand-Target Pair