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

InChI Key: InChIKey=BPLIGEHINHNRPM-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50339978   
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))		BDBM50339978
PNG
(CHEMBL1762329 | N-(3-(4-((4-bromophenyl)(3-methylp...)
Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1ncccc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H31BrCl2N4O2/c1-18-4-3-12-34-28(18)37-26(20-5-7-22(29)8-6-20)21-10-14-35(15-11-21)19(2)9-13-33-27(36)25-23(30)16-32-17-24(25)31/h3-8,12,16-17,19,21,26H,9-11,13-15H2,1-2H3,(H,33,36)
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Article
PubMed
n/an/a 190n/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