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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 = 50106956   
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))
BDBM50106956
PNG
(Allyl-[1-(3-phenyl-4-[1,2,4]triazol-1-yl-butyl)-pi...)
Show SMILES [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(CCC(Cn3cncn3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C28H34N6O4/c1-2-15-33(28(35)38-20-23-8-10-27(11-9-23)34(36)37)26-13-17-31(18-14-26)16-12-25(19-32-22-29-21-30-32)24-6-4-3-5-7-24/h2-11,21-22,25-26H,1,12-20H2
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Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against C-C chemokine receptor type 5 stably expressed in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as the radiolig...


Bioorg Med Chem Lett 11: 3103-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00655-2
BindingDB Entry DOI: 10.7270/Q2FT8K91
More data for this
Ligand-Target Pair