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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 = 'BDBM50350048'   
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))
BDBM50350048
PNG
(CHEMBL1813457)
Show SMILES CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)N(CC(F)(F)F)C(=O)[C@H](NC4=O)[C@H](O)C3CCCCC3)cc2)cc1 |r|
Show InChI InChI=1S/C32H39F3N4O5/c1-36-28(41)23-9-13-25(14-10-23)44-24-11-7-21(8-12-24)19-38-17-15-31(16-18-38)30(43)37-26(27(40)22-5-3-2-4-6-22)29(42)39(31)20-32(33,34)35/h7-14,22,26-27,40H,2-6,15-20H2,1H3,(H,36,41)(H,37,43)/t26-,27-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.60E+4n/an/an/an/an/an/a



Ono Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced calcium mobilization


Bioorg Med Chem 19: 4028-42 (2011)


Article DOI: 10.1016/j.bmc.2011.05.022
BindingDB Entry DOI: 10.7270/Q2H70G5Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50350048
PNG
(CHEMBL1813457)
Show SMILES CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)N(CC(F)(F)F)C(=O)[C@H](NC4=O)[C@H](O)C3CCCCC3)cc2)cc1 |r|
Show InChI InChI=1S/C32H39F3N4O5/c1-36-28(41)23-9-13-25(14-10-23)44-24-11-7-21(8-12-24)19-38-17-15-31(16-18-38)30(43)37-26(27(40)22-5-3-2-4-6-22)29(42)39(31)20-32(33,34)35/h7-14,22,26-27,40H,2-6,15-20H2,1H3,(H,36,41)(H,37,43)/t26-,27-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.15E+6n/an/an/an/an/an/a



Ono Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressin...


Bioorg Med Chem 19: 4028-42 (2011)


Article DOI: 10.1016/j.bmc.2011.05.022
BindingDB Entry DOI: 10.7270/Q2H70G5Q
More data for this
Ligand-Target Pair