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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 Ligand = 'BDBM50185960'   
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))
BDBM50185960
PNG
(1-acetyl-N-(3-(4-benzylpiperidin-1-yl)propyl)-N-ph...)
Show SMILES CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C29H39N3O2/c1-24(33)31-21-15-27(16-22-31)29(34)32(28-11-6-3-7-12-28)18-8-17-30-19-13-26(14-20-30)23-25-9-4-2-5-10-25/h2-7,9-12,26-27H,8,13-23H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to human CCR5 expressed in CHO cells


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185960
PNG
(1-acetyl-N-(3-(4-benzylpiperidin-1-yl)propyl)-N-ph...)
Show SMILES CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C29H39N3O2/c1-24(33)31-21-15-27(16-22-31)29(34)32(28-11-6-3-7-12-28)18-8-17-30-19-13-26(14-20-30)23-25-9-4-2-5-10-25/h2-7,9-12,26-27H,8,13-23H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 72n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair