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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 = 50321701   
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))
BDBM50321701
PNG
(4-((3-allyl-3-(1-(((3S,4R)-1-(cyclopentanecarbonyl...)
Show SMILES CNS(=O)(=O)c1ccc(CNC(=O)N(CC=C)C2CCN(C[C@H]3CN(C[C@]3(O)c3ccccc3)C(=O)C3CCCC3)CC2)cc1
Show InChI InChI=1/C34H47N5O5S/c1-3-19-39(33(41)36-22-26-13-15-31(16-14-26)45(43,44)35-2)30-17-20-37(21-18-30)23-29-24-38(32(40)27-9-7-8-10-27)25-34(29,42)28-11-5-4-6-12-28/h3-6,11-16,27,29-30,35,42H,1,7-10,17-25H2,2H3,(H,36,41)/t29-,34-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assay


Bioorg Med Chem Lett 20: 4012-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.102
BindingDB Entry DOI: 10.7270/Q2H132Z4
More data for this
Ligand-Target Pair