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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Monomerid = 50104251   
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))
BDBM50104251
PNG
(Allyl-{1-[(S)-4-(benzenesulfonyl-methyl-amino)-3-p...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C33H41N3O4S/c1-3-22-36(33(37)40-27-28-13-7-4-8-14-28)31-20-24-35(25-21-31)23-19-30(29-15-9-5-10-16-29)26-34(2)41(38,39)32-17-11-6-12-18-32/h3-18,30-31H,1,19-27H2,2H3/t30-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells


Bioorg Med Chem Lett 11: 2475-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00492-9
BindingDB Entry DOI: 10.7270/Q2319V4F
More data for this
Ligand-Target Pair