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SMILES: COc1cccc(SC[C@@H](O)CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)c1

InChI Key: InChIKey=VDFDTTRCUDMUDX-HNNXBMFYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50402808   
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
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50402808
PNG
(CHEMBL2208421)
Show SMILES COc1cccc(SC[C@@H](O)CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)c1 |r|
Show InChI InChI=1S/C21H25Cl2NO3S/c1-26-17-3-2-4-19(11-17)28-14-15(25)13-24-9-7-16(8-10-24)27-18-5-6-20(22)21(23)12-18/h2-6,11-12,15-16,25H,7-10,13-14H2,1H3/t15-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
19.9n/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
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50402808
PNG
(CHEMBL2208421)
Show SMILES COc1cccc(SC[C@@H](O)CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)c1 |r|
Show InChI InChI=1S/C21H25Cl2NO3S/c1-26-17-3-2-4-19(11-17)28-14-15(25)13-24-9-7-16(8-10-24)27-18-5-6-20(22)21(23)12-18/h2-6,11-12,15-16,25H,7-10,13-14H2,1H3/t15-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
126n/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