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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 Monomerid = 50124959   
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))
BDBM50124959
PNG
((4-{(4-Bromo-phenyl)-[(E)-isopropoxyimino]-methyl}...)
Show SMILES CC(C)O\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H38BrN5O2/c1-19(2)36-32-26(22-6-8-24(29)9-7-22)23-10-14-34(15-11-23)28(5)12-16-33(17-13-28)27(35)25-20(3)30-18-31-21(25)4/h6-9,18-19,23H,10-17H2,1-5H3/b32-26-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.30n/an/an/an/an/an/an/an/a



Lindsley F. Kimball Research Institute of The New York Blood Center

Curated by ChEMBL


Assay Description
Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)


J Med Chem 46: 4501-15 (2003)


Article DOI: 10.1021/jm030265z
BindingDB Entry DOI: 10.7270/Q2SB46GG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50124959
PNG
((4-{(4-Bromo-phenyl)-[(E)-isopropoxyimino]-methyl}...)
Show SMILES CC(C)O\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H38BrN5O2/c1-19(2)36-32-26(22-6-8-24(29)9-7-22)23-10-14-34(15-11-23)28(5)12-16-33(17-13-28)27(35)25-20(3)30-18-31-21(25)4/h6-9,18-19,23H,10-17H2,1-5H3/b32-26-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to CCR5 receptor.


Bioorg Med Chem Lett 13: 709-12 (2003)


Article DOI: 10.1016/s0960-894x(02)01063-6
BindingDB Entry DOI: 10.7270/Q2VM4CTD
More data for this
Ligand-Target Pair