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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 = 'BDBM50096505'   
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))
BDBM50096505
PNG
(1'-[3-(3,4-dichlorophenyl)-4-phenylsulfonamido-(3S...)
Show SMILES Clc1ccc(cc1Cl)[C@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)CNS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H30Cl2N2O3S2/c29-25-11-10-21(18-26(25)30)22(19-31-37(34,35)23-6-2-1-3-7-23)12-15-32-16-13-28(14-17-32)20-36(33)27-9-5-4-8-24(27)28/h1-11,18,22,31H,12-17,19-20H2/t22-,36?/m1/s1
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KEGG

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PC cid
PC sid
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Similars

PubMed
n/an/a 230n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human CCR5 receptor in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as radioligand


Bioorg Med Chem Lett 11: 259-64 (2001)


BindingDB Entry DOI: 10.7270/Q29Z945C
More data for this
Ligand-Target Pair