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SMILES: CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)C(=O)Oc1ccccc1

InChI Key: InChIKey=CSYLEHSOUHZAFC-KYCCWORLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50096531   
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))		BDBM50096531
PNG
(1N-[2-(3,4-dichlorophenyl)-4-spiro[2,3-dihydrobenz...)
Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C30H32Cl2N2O3S/c1-33(29(35)37-24-7-3-2-4-8-24)20-23(22-11-12-26(31)27(32)19-22)13-16-34-17-14-30(15-18-34)21-38(36)28-10-6-5-9-25(28)30/h2-12,19,23H,13-18,20-21H2,1H3/t23-,38?/m1/s1
PDB

KEGG

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PC cid
PC sid
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PubMed
n/an/a 780n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human CCR5 receptor in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as radioligand

Bioorg Med Chem Lett 11: 259-64 (2001)


BindingDB Entry DOI: 10.7270/Q29Z945C
More data for this
Ligand-Target Pair