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BDBM50441723 CHEMBL2435851

SMILES: OC(=O)c1ccc(Oc2ccc(CN3CCC(CC3)N3[C@@H](CN(C4CCOCC4)C3=O)c3cccc(Cl)c3)cn2)cc1

InChI Key: InChIKey=FXULQZUSZUIYOW-LJAQVGFWSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50441723   
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))		BDBM50441723
PNG
(CHEMBL2435851)
Show SMILES OC(=O)c1ccc(Oc2ccc(CN3CCC(CC3)N3[C@@H](CN(C4CCOCC4)C3=O)c3cccc(Cl)c3)cn2)cc1 |r|
Show InChI InChI=1S/C32H35ClN4O5/c33-25-3-1-2-24(18-25)29-21-36(26-12-16-41-17-13-26)32(40)37(29)27-10-14-35(15-11-27)20-22-4-9-30(34-19-22)42-28-7-5-23(6-8-28)31(38)39/h1-9,18-19,26-27,29H,10-17,20-21H2,(H,38,39)/t29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.30n/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