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SMILES: CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1ncccc1C)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=PCRDJCMCFNPFTE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50339982   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50339982
PNG
(3,5-dichloro-N-(3-(4-((3-methylpyridin-2-yloxy)(4-...)
Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1ncccc1C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H31Cl2F3N4O2/c1-18-4-3-12-37-28(18)40-26(20-5-7-22(8-6-20)29(32,33)34)21-10-14-38(15-11-21)19(2)9-13-36-27(39)25-23(30)16-35-17-24(25)31/h3-8,12,16-17,19,21,26H,9-11,13-15H2,1-2H3,(H,36,39)
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Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells

Bioorg Med Chem Lett 21: 2450-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3
More data for this
Ligand-Target Pair