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SMILES: CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCC2)CC1)C(=O)OCc1ccccc1

InChI Key: InChIKey=XIMQRVAHXBOEOW-MFMCTBQISA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50105540   
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))		BDBM50105540
PNG
(CHEMBL430867 | [1-((3S,4S)-1-Cyclopentanecarbonyl-...)
Show SMILES CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCC2)CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C32H43N3O3/c1-2-35(32(37)38-24-25-11-5-3-6-12-25)29-17-19-33(20-18-29)21-28-22-34(31(36)27-15-9-10-16-27)23-30(28)26-13-7-4-8-14-26/h3-8,11-14,27-30H,2,9-10,15-24H2,1H3/t28-,30+/m0/s1
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PubMed
n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration, binding towards C-C chemokine receptor type 5 using [125I]-MIP-1 alpha as radioligand expressed on CHO cells

Bioorg Med Chem Lett 11: 2741-5 (2001)


BindingDB Entry DOI: 10.7270/Q2F47NFC
More data for this
Ligand-Target Pair