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SMILES: OC(=O)c1ccc(Sc2ncc(CN3CCC(CC3)N3[C@@H](CN(C4CCOCC4)C3=O)c3cccc(Cl)c3)cn2)cc1

InChI Key: InChIKey=PXWFHSBJRCMRCF-NDEPHWFRSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50441728   
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))		BDBM50441728
PNG
(CHEMBL2435844)
Show SMILES OC(=O)c1ccc(Sc2ncc(CN3CCC(CC3)N3[C@@H](CN(C4CCOCC4)C3=O)c3cccc(Cl)c3)cn2)cc1 |r|
Show InChI InChI=1S/C31H34ClN5O4S/c32-24-3-1-2-23(16-24)28-20-36(25-10-14-41-15-11-25)31(40)37(28)26-8-12-35(13-9-26)19-21-17-33-30(34-18-21)42-27-6-4-22(5-7-27)29(38)39/h1-7,16-18,25-26,28H,8-15,19-20H2,(H,38,39)/t28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of CCR5 (unknown origin) expressed in human HeLa cells assessed as inhibition of interaction of CHO cells expressing HIV-1 JRFLenv and HIV...

J Med Chem 56: 8049-65 (2013)


Article DOI: 10.1021/jm401101p
BindingDB Entry DOI: 10.7270/Q2445NX3
More data for this
Ligand-Target Pair