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BDBM50124951 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,4,6-trimethyl-pyrimidin-5-yl)-methanone::CHEMBL335120

SMILES: CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(C)nc1C)c1ccc(Br)cc1

InChI Key: InChIKey=UZJSKCQFXMKARM-FSRJSHLRSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50124951   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50124951
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(C)nc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H38BrN5O2/c1-6-36-32-26(22-7-9-24(29)10-8-22)23-11-15-34(16-12-23)28(5)13-17-33(18-14-28)27(35)25-19(2)30-21(4)31-20(25)3/h7-10,23H,6,11-18H2,1-5H3/b32-26-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10n/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))
BDBM50124951
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(C)nc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H38BrN5O2/c1-6-36-32-26(22-7-9-24(29)10-8-22)23-11-15-34(16-12-23)28(5)13-17-33(18-14-28)27(35)25-19(2)30-21(4)31-20(25)3/h7-10,23H,6,11-18H2,1-5H3/b32-26-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10n/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