BindingDB logo
myBDB logout

null

SMILES: O[C@@H](CNC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)COc1ccc2ncsc2c1

InChI Key: InChIKey=MNXRFTOYSSFEST-KRWDZBQOSA-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 = 50402810   
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))
BDBM50402810
PNG
(CHEMBL2208418)
Show SMILES O[C@@H](CNC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)COc1ccc2ncsc2c1 |r|
Show InChI InChI=1S/C22H25Cl2N3O2S/c23-19-3-1-15(9-20(19)24)12-27-7-5-16(6-8-27)25-11-17(28)13-29-18-2-4-21-22(10-18)30-14-26-21/h1-4,9-10,14,16-17,25,28H,5-8,11-13H2/t17-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
158n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-4-(2,4-dichloro-3-methylphenoxy)-l'-[4- (methylsulfonyl)benzoyl]-l,4'-bipiperidine from human recombinant CCR3 expressed in CHOK...


Bioorg Med Chem Lett 22: 7702-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.113
BindingDB Entry DOI: 10.7270/Q2CJ8FNG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50402810
PNG
(CHEMBL2208418)
Show SMILES O[C@@H](CNC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)COc1ccc2ncsc2c1 |r|
Show InChI InChI=1S/C22H25Cl2N3O2S/c23-19-3-1-15(9-20(19)24)12-27-7-5-16(6-8-27)25-11-17(28)13-29-18-2-4-21-22(10-18)30-14-26-21/h1-4,9-10,14,16-17,25,28H,5-8,11-13H2/t17-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
316n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-pyrilamine from human histamine H1 receptor expressed in recombinant CHOK1 cells after 1 hr


Bioorg Med Chem Lett 22: 7702-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.113
BindingDB Entry DOI: 10.7270/Q2CJ8FNG
More data for this
Ligand-Target Pair