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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 = 'BDBM50359493'   
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))		BDBM50359493
PNG
(CHEMBL1926887)
Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1cccc(c1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C30H30Cl2N6O/c1-21(9-12-36-30(39)29-27(31)18-35-19-28(29)32)37-13-10-26(11-14-37)38(25-7-5-22(16-33)6-8-25)20-24-4-2-3-23(15-24)17-34/h2-8,15,18-19,21,26H,9-14,20H2,1H3,(H,36,39)
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PC cid
PC sid
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Similars
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...

Bioorg Med Chem Lett 21: 6950-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.133
BindingDB Entry DOI: 10.7270/Q2GM87RZ
More data for this
Ligand-Target Pair