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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 = 50165097   
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))
BDBM50165097
PNG
((R)-2-cyclohexyl-2-((3S,4S)-3-((4-(2-oxo-2,3-dihyd...)
Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)n2c3ccccc3[nH]c2=O)[C@H](C1)c1ccccc1
Show InChI InChI=1/C31H40N4O3/c36-30(37)29(23-11-5-2-6-12-23)34-20-24(26(21-34)22-9-3-1-4-10-22)19-33-17-15-25(16-18-33)35-28-14-8-7-13-27(28)32-31(35)38/h1,3-4,7-10,13-14,23-26,29H,2,5-6,11-12,15-21H2,(H,32,38)(H,36,37)/t24-,26+,29+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 63n/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))
BDBM50165097
PNG
((R)-2-cyclohexyl-2-((3S,4S)-3-((4-(2-oxo-2,3-dihyd...)
Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)n2c3ccccc3[nH]c2=O)[C@H](C1)c1ccccc1
Show InChI InChI=1/C31H40N4O3/c36-30(37)29(23-11-5-2-6-12-23)34-20-24(26(21-34)22-9-3-1-4-10-22)19-33-17-15-25(16-18-33)35-28-14-8-7-13-27(28)32-31(35)38/h1,3-4,7-10,13-14,23-26,29H,2,5-6,11-12,15-21H2,(H,32,38)(H,36,37)/t24-,26+,29+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 63n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed on CHO cell membranes


Bioorg Med Chem Lett 15: 2129-34 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.030
BindingDB Entry DOI: 10.7270/Q21C1WD7
More data for this
Ligand-Target Pair