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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 = 50322274   
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))
BDBM50322274
PNG
(CHEMBL1173134 | rac-1-Butyl-3-(cyclohexylmethyl)-9...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2cnc([nH]2)-c2ccccc2)CC1
Show InChI InChI=1/C29H41N5O2/c1-2-3-16-34-27(35)25(19-22-10-6-4-7-11-22)32-28(36)29(34)14-17-33(18-15-29)21-24-20-30-26(31-24)23-12-8-5-9-13-23/h5,8-9,12-13,20,22,25H,2-4,6-7,10-11,14-19,21H2,1H3,(H,30,31)(H,32,36)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 160n/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