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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 = 50096559   
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))
BDBM50096559
PNG
(1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido...)
Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)(=O)c3ccccc23)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H33ClN2O4S2/c1-31(38(35,36)26-10-3-2-4-11-26)21-24(23-8-7-9-25(30)20-23)14-17-32-18-15-29(16-19-32)22-37(33,34)28-13-6-5-12-27(28)29/h2-13,20,24H,14-19,21-22H2,1H3/t24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells


Bioorg Med Chem Lett 11: 2469-73 (2001)


Article DOI: 10.1016/s0960-894x(01)00491-7
BindingDB Entry DOI: 10.7270/Q26T0KWF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50096559
PNG
(1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido...)
Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)(=O)c3ccccc23)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H33ClN2O4S2/c1-31(38(35,36)26-10-3-2-4-11-26)21-24(23-8-7-9-25(30)20-23)14-17-32-18-15-29(16-19-32)22-37(33,34)28-13-6-5-12-27(28)29/h2-13,20,24H,14-19,21-22H2,1H3/t24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 15n/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