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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 = 50319445   
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))
BDBM50319445
PNG
((R)-4-((3-(1'-(6-cyano-2,4-dimethylnicotinoyl)-4'-...)
Show SMILES CNC(=O)N1CCC(CN2C[C@H](N(C3CCN(CC3)C3(C)CCN(CC3)C(=O)c3c(C)cc(nc3C)C#N)C2=O)c2ccccc2)CC1
Show InChI InChI=1/C37H50N8O3/c1-26-22-30(23-38)40-27(2)33(26)34(46)41-20-14-37(3,15-21-41)44-18-12-31(13-19-44)45-32(29-8-6-5-7-9-29)25-43(36(45)48)24-28-10-16-42(17-11-28)35(47)39-4/h5-9,22,28,31-32H,10-21,24-25H2,1-4H3,(H,39,47)/t32-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Binding affinity at CCR5 receptor by radiolabelled RANTES binding assay


Bioorg Med Chem Lett 20: 3219-22 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.077
BindingDB Entry DOI: 10.7270/Q2FT8M63
More data for this
Ligand-Target Pair