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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 = 50322275   
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))
BDBM50322275
PNG
((3S)-1-Butyl-3-(cyclohexylmethyl)-9-[(5-methyl-2-p...)
Show SMILES CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(Cc2nc(oc2C)-c2ccccc2)CC1
Show InChI InChI=1/C30H42N4O3/c1-3-4-17-34-28(35)25(20-23-11-7-5-8-12-23)32-29(36)30(34)15-18-33(19-16-30)21-26-22(2)37-27(31-26)24-13-9-6-10-14-24/h6,9-10,13-14,23,25H,3-5,7-8,11-12,15-21H2,1-2H3,(H,32,36)/t25-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 450n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization


Bioorg Med Chem 18: 5208-23 (2010)


Article DOI: 10.1016/j.bmc.2010.05.057
BindingDB Entry DOI: 10.7270/Q25H7H7B
More data for this
Ligand-Target Pair