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SMILES: O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(OC(F)(F)F)cc1)C(=O)C1CCCC1)c1ccccc1

InChI Key: InChIKey=XHXHVPDACROHEJ-UVMMSNCQSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50321685   
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))		BDBM50321685
PNG
(4-(trifluoromethoxy)benzyl allyl(1-(((3S,4R)-1-(cy...)
Show SMILES O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(OC(F)(F)F)cc1)C(=O)C1CCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C34H42F3N3O5/c1-2-18-40(32(42)44-23-25-12-14-30(15-13-25)45-34(35,36)37)29-16-19-38(20-17-29)21-28-22-39(31(41)26-8-6-7-9-26)24-33(28,43)27-10-4-3-5-11-27/h2-5,10-15,26,28-29,43H,1,6-9,16-24H2/t28-,33-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
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Similars
Article
PubMed
n/an/a 6.20n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assay

Bioorg Med Chem Lett 20: 4012-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.102
BindingDB Entry DOI: 10.7270/Q2H132Z4
More data for this
Ligand-Target Pair