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

InChI Key: InChIKey=SBNNDGTUZRHEAY-WOKNPCPGSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50276684   
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))		BDBM50276684
PNG
(CHEMBL461688 | N-((1S)-3-(4-(1-ethyl-3-methyl-3-ph...)
Show SMILES CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)N(C)c1ccccc1 |r|
Show InChI InChI=1S/C30H42N4O2/c1-4-34(30(36)32(3)26-16-9-6-10-17-26)27-18-20-33(21-19-27)23(2)22-28(24-12-7-5-8-13-24)31-29(35)25-14-11-15-25/h5-10,12-13,16-17,23,25,27-28H,4,11,14-15,18-22H2,1-3H3,(H,31,35)/t23?,28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.43E+3n/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