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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 Monomerid = 50141982   
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))
BDBM50141982
PNG
((2R,4R)-2-[(2S,3S)-3-{4-[5-(4-Benzenesulfonyl-benz...)
Show SMILES CC[C@@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(cc3)S(=O)(=O)c3ccccc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O
Show InChI InChI=1S/C40H49FN4O4S/c1-4-28(3)39(40(46)47)44-26-32(37(27-44)31-10-9-11-33(41)23-31)25-43-20-18-30(19-21-43)38-24-34(42-45(38)5-2)22-29-14-16-36(17-15-29)50(48,49)35-12-7-6-8-13-35/h6-17,23-24,28,30,32,37,39H,4-5,18-22,25-27H2,1-3H3,(H,46,47)/t28-,32+,37-,39-/m1/s1
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Similars

Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration for displacement of [125I]-MIP-1 alpha from recombinant human CC chemokine receptor 5 (CCR5) expressed in CHO cell


Bioorg Med Chem Lett 14: 947-52 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.006
BindingDB Entry DOI: 10.7270/Q2F18Z5V
More data for this
Ligand-Target Pair