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1 similar compounds to monomer 50148273

Compile data set for download or QSAR
Wt: 557.7
BDBM50249303

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50249303   
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))
BDBM50249303
PNG
((R)-2-((3S,4S)-3-((4-(2-benzylthiazol-4-yl)piperid...)
Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2csc(Cc3ccccc3)n2)[C@H](C1)c1ccccc1
Show InChI InChI=1/C34H43N3O2S/c38-34(39)33(28-14-8-3-9-15-28)37-22-29(30(23-37)26-12-6-2-7-13-26)21-36-18-16-27(17-19-36)31-24-40-32(35-31)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,24,27-30,33H,3,8-9,14-23H2,(H,38,39)/t29-,30+,33+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand


Bioorg Med Chem Lett 14: 3419-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.078
BindingDB Entry DOI: 10.7270/Q2X63MD1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50249303
PNG
((R)-2-((3S,4S)-3-((4-(2-benzylthiazol-4-yl)piperid...)
Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2csc(Cc3ccccc3)n2)[C@H](C1)c1ccccc1
Show InChI InChI=1/C34H43N3O2S/c38-34(39)33(28-14-8-3-9-15-28)37-22-29(30(23-37)26-12-6-2-7-13-26)21-36-18-16-27(17-19-36)31-24-40-32(35-31)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,24,27-30,33H,3,8-9,14-23H2,(H,38,39)/t29-,30+,33+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair