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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 = 50141885   
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))
BDBM50141885
PNG
(2-{3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperid...)
Show SMILES CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](CC(C)C)C(O)=O)CC1
Show InChI InChI=1S/C34H46N4O2/c1-4-38-32(21-30(35-38)20-26-11-7-5-8-12-26)28-15-17-36(18-16-28)22-29-23-37(33(34(39)40)19-25(2)3)24-31(29)27-13-9-6-10-14-27/h5-14,21,25,28-29,31,33H,4,15-20,22-24H2,1-3H3,(H,39,40)/t29-,31+,33+/m0/s1
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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound to displace [125I]-MIP-1 alpha from CX3C chemokine receptor 5


Bioorg Med Chem Lett 14: 941-5 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.005
BindingDB Entry DOI: 10.7270/Q2JS9PVD
More data for this
Ligand-Target Pair