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SMILES: COc1ccc(NC(=O)N(CCCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nnc2C(C)C)c2ccccc2)cc1

InChI Key: InChIKey=YZLDUGXGQUKXQJ-UQWUFBTJSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50374082   
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))		BDBM50374082
PNG
(CHEMBL402242)
Show SMILES COc1ccc(NC(=O)N(CCCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nnc2C(C)C)c2ccccc2)cc1 |THB:12:13:20.19.18:16.15|
Show InChI InChI=1S/C30H40N6O2/c1-21(2)29-33-32-22(3)36(29)27-19-25-13-14-26(20-27)34(25)17-8-18-35(24-9-6-5-7-10-24)30(37)31-23-11-15-28(38-4)16-12-23/h5-7,9-12,15-16,21,25-27H,8,13-14,17-20H2,1-4H3,(H,31,37)/t25-,26+,27+
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Similars
Article
PubMed
n/an/a 27n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1beta from human recombinant CCR5 receptor expressed in CHOK1 cells

Bioorg Med Chem Lett 18: 1498-501 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.058
BindingDB Entry DOI: 10.7270/Q2V125PH
More data for this
Ligand-Target Pair