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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 = 'BDBM50141882'   
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))
BDBM50141882
PNG
((R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-...)
Show SMILES CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CC2)C(O)=O)CC1 |r|
Show InChI InChI=1S/C34H43FN4O2/c1-2-39-32(20-30(36-39)17-24-7-4-3-5-8-24)26-13-15-37(16-14-26)21-28-22-38(33(34(40)41)18-25-11-12-25)23-31(28)27-9-6-10-29(35)19-27/h3-10,19-20,25-26,28,31,33H,2,11-18,21-23H2,1H3,(H,40,41)/t28-,31+,33+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50141882
PNG
((R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-...)
Show SMILES CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CC2)C(O)=O)CC1 |r|
Show InChI InChI=1S/C34H43FN4O2/c1-2-39-32(20-30(36-39)17-24-7-4-3-5-8-24)26-13-15-37(16-14-26)21-28-22-38(33(34(40)41)18-25-11-12-25)23-31(28)27-9-6-10-29(35)19-27/h3-10,19-20,25-26,28,31,33H,2,11-18,21-23H2,1H3,(H,40,41)/t28-,31+,33+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human CX3C chemokine receptor 5 expressed in CHO cells


Bioorg Med Chem Lett 14: 941-5 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.005
BindingDB Entry DOI: 10.7270/Q2JS9PVD
More data for this
Ligand-Target Pair