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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 = 50123139   
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))
BDBM50123139
PNG
(((3S,4S)-3-((4-(allyl(pyrimidin-2-yl)amino)piperid...)
Show SMILES C=CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1)c1ncccn1
Show InChI InChI=1/C30H41N5O/c1-2-18-35(30-31-16-9-17-32-30)27-14-19-33(20-15-27)21-26-22-34(29(36)25-12-7-4-8-13-25)23-28(26)24-10-5-3-6-11-24/h2-3,5-6,9-11,16-17,25-28H,1,4,7-8,12-15,18-23H2/t26-,28+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/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))
BDBM50123139
PNG
(((3S,4S)-3-((4-(allyl(pyrimidin-2-yl)amino)piperid...)
Show SMILES C=CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1)c1ncccn1
Show InChI InChI=1/C30H41N5O/c1-2-18-35(30-31-16-9-17-32-30)27-14-19-33(20-15-27)21-26-22-34(29(36)25-12-7-4-8-13-25)23-28(26)24-10-5-3-6-11-24/h2-3,5-6,9-11,16-17,25-28H,1,4,7-8,12-15,18-23H2/t26-,28+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5


Bioorg Med Chem Lett 13: 427-31 (2003)


Article DOI: 10.1016/s0960-894x(02)00988-5
BindingDB Entry DOI: 10.7270/Q2PR7VBW
More data for this
Ligand-Target Pair