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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 = 'BDBM50248439'   
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))
BDBM50248439
PNG
((+/-)-4,4-difluoro-N-((1S)-3-(4-(3-isopropyl-5-met...)
Show SMILES CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C28H41F2N5O/c1-19(2)26-33-32-21(4)35(26)24-12-16-34(17-13-24)20(3)18-25(22-8-6-5-7-9-22)31-27(36)23-10-14-28(29,30)15-11-23/h5-9,19-20,23-25H,10-18H2,1-4H3,(H,31,36)/t20?,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.840n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1499-503 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.008
BindingDB Entry DOI: 10.7270/Q2PN96JF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50248439
PNG
((+/-)-4,4-difluoro-N-((1S)-3-(4-(3-isopropyl-5-met...)
Show SMILES CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C28H41F2N5O/c1-19(2)26-33-32-21(4)35(26)24-12-16-34(17-13-24)20(3)18-25(22-8-6-5-7-9-22)31-27(36)23-10-14-28(29,30)15-11-23/h5-9,19-20,23-25H,10-18H2,1-4H3,(H,31,36)/t20?,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 62n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1499-503 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.008
BindingDB Entry DOI: 10.7270/Q2PN96JF
More data for this
Ligand-Target Pair