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SMILES: OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2cc(n[nH]2)C(F)(F)c2ccccc2)[C@H](C1)c1ccccc1

InChI Key: InChIKey=MPGXVOKLEKYKQS-RTKAOUNRSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50249200   
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))		BDBM50249200
PNG
((R)-2-cyclohexyl-2-((3S,4S)-3-((4-(3-(difluoro(phe...)
Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2cc(n[nH]2)C(F)(F)c2ccccc2)[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C34H42F2N4O2/c35-34(36,28-14-8-3-9-15-28)31-20-30(37-38-31)25-16-18-39(19-17-25)21-27-22-40(23-29(27)24-10-4-1-5-11-24)32(33(41)42)26-12-6-2-7-13-26/h1,3-5,8-11,14-15,20,25-27,29,32H,2,6-7,12-13,16-19,21-23H2,(H,37,38)(H,41,42)/t27-,29+,32+/m0/s1
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Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells

Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair