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SMILES: CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)NCc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=IOCVTFGTNVAJNQ-QVWGJOIVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50276634   
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))		BDBM50276634
PNG
(CHEMBL515193 | N-((1S)-3-(4-(3-(3,4-dichlorobenzyl...)
Show SMILES CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)NCc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C30H40Cl2N4O2/c1-3-36(30(38)33-20-22-12-13-26(31)27(32)19-22)25-14-16-35(17-15-25)21(2)18-28(23-8-5-4-6-9-23)34-29(37)24-10-7-11-24/h4-6,8-9,12-13,19,21,24-25,28H,3,7,10-11,14-18,20H2,1-2H3,(H,33,38)(H,34,37)/t21?,28-/m0/s1
PDB

KEGG

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Similars
Article
PubMed
n/an/a 0.00300n/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