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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Monomerid = 50096557   
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))
BDBM50096557
PNG
(CHEMBL312701 | N-[(S)-2-(3-Chloro-phenyl)-4-(4-phe...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H33ClN2O2S/c1-30(34(32,33)28-13-6-3-7-14-28)22-26(25-11-8-12-27(29)21-25)17-20-31-18-15-24(16-19-31)23-9-4-2-5-10-23/h2-14,21,24,26H,15-20,22H2,1H3/t26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 30n/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))
BDBM50096557
PNG
(CHEMBL312701 | N-[(S)-2-(3-Chloro-phenyl)-4-(4-phe...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H33ClN2O2S/c1-30(34(32,33)28-13-6-3-7-14-28)22-26(25-11-8-12-27(29)21-25)17-20-31-18-15-24(16-19-31)23-9-4-2-5-10-23/h2-14,21,24,26H,15-20,22H2,1H3/t26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]-MIP-1 alpha to C-C chemokine receptor type 5 in Chinese hamster ovary (CHO) cell membranes


Bioorg Med Chem Lett 11: 3137-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00652-7
BindingDB Entry DOI: 10.7270/Q2XW4J4W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50096557
PNG
(CHEMBL312701 | N-[(S)-2-(3-Chloro-phenyl)-4-(4-phe...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H33ClN2O2S/c1-30(34(32,33)28-13-6-3-7-14-28)22-26(25-11-8-12-27(29)21-25)17-20-31-18-15-24(16-19-31)23-9-4-2-5-10-23/h2-14,21,24,26H,15-20,22H2,1H3/t26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 30n/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