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SMILES: OC(=O)[C@@H](N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1

InChI Key: InChIKey=JHJPBZPNRYMQKP-DEOSSOPVSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50394152   
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))
BDBM50394152
PNG
(CHEMBL2158820)
Show SMILES OC(=O)[C@@H](N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C25H30Cl2N2O3/c26-22-7-6-21(16-23(22)27)32-20-10-12-28(13-11-20)17-18-8-14-29(15-9-18)24(25(30)31)19-4-2-1-3-5-19/h1-7,16,18,20,24H,8-15,17H2,(H,30,31)/t24-/m0/s1
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Article
PubMed
25.1n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor


Bioorg Med Chem Lett 22: 6694-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.103
BindingDB Entry DOI: 10.7270/Q2Z320SD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50394152
PNG
(CHEMBL2158820)
Show SMILES OC(=O)[C@@H](N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C25H30Cl2N2O3/c26-22-7-6-21(16-23(22)27)32-20-10-12-28(13-11-20)17-18-8-14-29(15-9-18)24(25(30)31)19-4-2-1-3-5-19/h1-7,16,18,20,24H,8-15,17H2,(H,30,31)/t24-/m0/s1
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31.6n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 6694-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.103
BindingDB Entry DOI: 10.7270/Q2Z320SD
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50394152
PNG
(CHEMBL2158820)
Show SMILES OC(=O)[C@@H](N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C25H30Cl2N2O3/c26-22-7-6-21(16-23(22)27)32-20-10-12-28(13-11-20)17-18-8-14-29(15-9-18)24(25(30)31)19-4-2-1-3-5-19/h1-7,16,18,20,24H,8-15,17H2,(H,30,31)/t24-/m0/s1
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PubMed
n/an/a 2.51E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 3,7-Bis[2-(4-nitro[3,5-3H]phenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane from human ERG expressed in HEK cells after 3 hrs by TopCount a...


Bioorg Med Chem Lett 22: 6694-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.103
BindingDB Entry DOI: 10.7270/Q2Z320SD
More data for this
Ligand-Target Pair