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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50441724'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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))		BDBM50441724
PNG
(CHEMBL2435854)
Show SMILES Cc1cccc(c1)[C@@H]1CN(C2CCOCC2)C(=O)N1C1CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)nc2C)CC1 |r|
Show InChI InChI=1S/C34H40N4O5/c1-23-4-3-5-26(20-23)31-22-37(28-14-18-42-19-15-28)34(41)38(31)29-12-16-36(17-13-29)21-27-8-11-32(35-24(27)2)43-30-9-6-25(7-10-30)33(39)40/h3-11,20,28-29,31H,12-19,21-22H2,1-2H3,(H,39,40)/t31-/m0/s1
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Similars
Article
PubMed
n/an/a 1.10n/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