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BDBM50397498 CHEMBL2171043

SMILES: Clc1cccc(c1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=ZFVQRQOPWCBDOI-UHFFFAOYSA-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 = 50397498   
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 3


(Homo sapiens (Human))
BDBM50397498
PNG
(CHEMBL2171043)
Show SMILES Clc1cccc(c1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl3N3O4S/c24-16-2-1-3-20(14-16)34(31,32)27-23(30)29-10-6-17(7-11-29)28-12-8-18(9-13-28)33-19-4-5-21(25)22(26)15-19/h1-5,14-15,17-18H,6-13H2,(H,27,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.31n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human CCR3 receptor expressed in CHOK1 cells by radioligand displacement assay


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50397498
PNG
(CHEMBL2171043)
Show SMILES Clc1cccc(c1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl3N3O4S/c24-16-2-1-3-20(14-16)34(31,32)27-23(30)29-10-6-17(7-11-29)28-12-8-18(9-13-28)33-19-4-5-21(25)22(26)15-19/h1-5,14-15,17-18H,6-13H2,(H,27,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.94n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair