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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 = 50124956   
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))
BDBM50124956
PNG
((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(SC)nc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H38BrN5O2S/c1-6-36-32-25(21-7-9-23(29)10-8-21)22-11-15-34(16-12-22)28(4)13-17-33(18-14-28)26(35)24-19(2)30-27(37-5)31-20(24)3/h7-10,22H,6,11-18H2,1-5H3/b32-25-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30n/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))
BDBM50124956
PNG
((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(SC)nc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H38BrN5O2S/c1-6-36-32-25(21-7-9-23(29)10-8-21)22-11-15-34(16-12-22)28(4)13-17-33(18-14-28)26(35)24-19(2)30-27(37-5)31-20(24)3/h7-10,22H,6,11-18H2,1-5H3/b32-25-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30n/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