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SMILES: CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Oc1ccc(Cl)cc1

InChI Key: InChIKey=TUKDLWNHHAZMOP-YQAGWJQESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50276686   
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))		BDBM50276686
PNG
(4-chlorophenyl 1-((4S)-4-(cyclobutanecarboxamido)-...)
Show SMILES CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Oc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H38ClN3O3/c1-3-33(29(35)36-26-14-12-24(30)13-15-26)25-16-18-32(19-17-25)21(2)20-27(22-8-5-4-6-9-22)31-28(34)23-10-7-11-23/h4-6,8-9,12-15,21,23,25,27H,3,7,10-11,16-20H2,1-2H3,(H,31,34)/t21?,27-/m0/s1
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PC sid
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Similars
Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...

Bioorg Med Chem Lett 19: 1075-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.009
BindingDB Entry DOI: 10.7270/Q27M08VH
More data for this
Ligand-Target Pair