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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 Ligand = 'BDBM50318440'   
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))
BDBM50318440
PNG
(CHEMBL1097515 | N-((S)-3-((3aR,6aS)-5-(2,6-dichlor...)
Show SMILES Clc1cccc(Cl)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 |r|
Show InChI InChI=1S/C28H33Cl2N3O2/c29-23-11-6-12-24(30)26(23)28(35)33-17-21-15-32(16-22(21)18-33)14-13-25(19-7-2-1-3-8-19)31-27(34)20-9-4-5-10-20/h1-3,6-8,11-12,20-22,25H,4-5,9-10,13-18H2,(H,31,34)/t21-,22+,25-/m0/s1
PDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 3116-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.095
BindingDB Entry DOI: 10.7270/Q27S7PQ2
More data for this
Ligand-Target Pair