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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Monomerid = 50096543   
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))
BDBM50096543
PNG
(1'-[4-methyl(phenyl)sulfonamido-3-phenylbutyl]spir...)
Show SMILES CN(CC(CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1/C29H34N2O3S2/c1-30(36(33,34)26-12-6-3-7-13-26)22-25(24-10-4-2-5-11-24)16-19-31-20-17-29(18-21-31)23-35(32)28-15-9-8-14-27(28)29/h2-15,25H,16-23H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against specific binding of [125I]-MIP-1 alpha to human CCR5 receptor.


Bioorg Med Chem Lett 11: 265-70 (2001)


Article DOI: 10.1016/s0960-894x(00)00639-9
BindingDB Entry DOI: 10.7270/Q2668CFZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50096543
PNG
(1'-[4-methyl(phenyl)sulfonamido-3-phenylbutyl]spir...)
Show SMILES CN(CC(CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1/C29H34N2O3S2/c1-30(36(33,34)26-12-6-3-7-13-26)22-25(24-10-4-2-5-11-24)16-19-31-20-17-29(18-21-31)23-35(32)28-15-9-8-14-27(28)29/h2-15,25H,16-23H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 68n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125 I]-MIP-1alpha from C-C chemokine receptor type 5 expressed on CHO cell membranes


Bioorg Med Chem Lett 11: 1437-40 (2001)


Article DOI: 10.1016/s0960-894x(01)00232-3
BindingDB Entry DOI: 10.7270/Q2VM4CSZ
More data for this
Ligand-Target Pair