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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 = 'BDBM50350053'   
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))
BDBM50350053
PNG
(CHEMBL1813441)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCOCC1 |r|
Show InChI InChI=1S/C32H41N3O7/c1-2-3-16-35-29(37)27(28(36)23-12-19-41-20-13-23)33-31(40)32(35)14-17-34(18-15-32)21-22-4-8-25(9-5-22)42-26-10-6-24(7-11-26)30(38)39/h4-11,23,27-28,36H,2-3,12-21H2,1H3,(H,33,40)(H,38,39)/t27-,28-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.20E+5n/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))
BDBM50350053
PNG
(CHEMBL1813441)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCOCC1 |r|
Show InChI InChI=1S/C32H41N3O7/c1-2-3-16-35-29(37)27(28(36)23-12-19-41-20-13-23)33-31(40)32(35)14-17-34(18-15-32)21-22-4-8-25(9-5-22)42-26-10-6-24(7-11-26)30(38)39/h4-11,23,27-28,36H,2-3,12-21H2,1H3,(H,33,40)(H,38,39)/t27-,28-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.02E+5n/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