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SMILES: CN(C1CCN(CCCN2CCCc3c(Nc4ccc(Cl)c(Cl)c4)nccc3C2=O)CC1)S(C)(=O)=O

InChI Key: InChIKey=AWEGVPOPWDMWCC-UHFFFAOYSA-N

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 = 50274427   
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 2


(Homo sapiens (Human))
BDBM50274427
PNG
(CHEMBL4128498)
Show SMILES CN(C1CCN(CCCN2CCCc3c(Nc4ccc(Cl)c(Cl)c4)nccc3C2=O)CC1)S(C)(=O)=O
Show InChI InChI=1S/C25H33Cl2N5O3S/c1-30(36(2,34)35)19-9-15-31(16-10-19)12-4-14-32-13-3-5-20-21(25(32)33)8-11-28-24(20)29-18-6-7-22(26)23(27)17-18/h6-8,11,17,19H,3-5,9-10,12-16H2,1-2H3,(H,28,29)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 61n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 (unknown origin) expressed in CHOK1 cells co-expressing Ga16 assessed as inhibition of CCL2 induced intracellular Ca2+ mo...


Bioorg Med Chem 26: 3559-3572 (2018)


Article DOI: 10.1016/j.bmc.2018.05.027
BindingDB Entry DOI: 10.7270/Q2H41TZH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50274427
PNG
(CHEMBL4128498)
Show SMILES CN(C1CCN(CCCN2CCCc3c(Nc4ccc(Cl)c(Cl)c4)nccc3C2=O)CC1)S(C)(=O)=O
Show InChI InChI=1S/C25H33Cl2N5O3S/c1-30(36(2,34)35)19-9-15-31(16-10-19)12-4-14-32-13-3-5-20-21(25(32)33)8-11-28-24(20)29-18-6-7-22(26)23(27)17-18/h6-8,11,17,19H,3-5,9-10,12-16H2,1-2H3,(H,28,29)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 660n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in CHOK1 cells co-expressing Ga16 assessed as inhibition of Rantes-induced intracellular Ca2+ ...


Bioorg Med Chem 26: 3559-3572 (2018)


Article DOI: 10.1016/j.bmc.2018.05.027
BindingDB Entry DOI: 10.7270/Q2H41TZH
More data for this
Ligand-Target Pair