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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 = 50234730   
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))
BDBM50234730
PNG
((4-methyl-4-(4-(phenyl(pyridin-3-yl)amino)piperidi...)
Show SMILES CC1(CCN(CC1)C(=O)c1cccc2ccccc12)N1CCC(CC1)N(c1ccccc1)c1cccnc1
Show InChI InChI=1S/C33H36N4O/c1-33(18-23-35(24-19-33)32(38)31-15-7-10-26-9-5-6-14-30(26)31)36-21-16-28(17-22-36)37(27-11-3-2-4-12-27)29-13-8-20-34-25-29/h2-15,20,25,28H,16-19,21-24H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Novartis Institutes for BioMedical Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 2000-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.108
BindingDB Entry DOI: 10.7270/Q2NC6229
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Macaca fascicularis)
BDBM50234730
PNG
((4-methyl-4-(4-(phenyl(pyridin-3-yl)amino)piperidi...)
Show SMILES CC1(CCN(CC1)C(=O)c1cccc2ccccc12)N1CCC(CC1)N(c1ccccc1)c1cccnc1
Show InChI InChI=1S/C33H36N4O/c1-33(18-23-35(24-19-33)32(38)31-15-7-10-26-9-5-6-14-30(26)31)36-21-16-28(17-22-36)37(27-11-3-2-4-12-27)29-13-8-20-34-25-29/h2-15,20,25,28H,16-19,21-24H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of radiolabeled MIP-1alpha from cynomolgus monkey CCR5 expressed in CHO cells


Bioorg Med Chem Lett 18: 2000-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.108
BindingDB Entry DOI: 10.7270/Q2NC6229
More data for this
Ligand-Target Pair