BindingDB logo
myBDB logout

null

SMILES: OC(=O)c1cccnc1N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1

InChI Key: InChIKey=ROQGCKBWSKAVEH-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 3 hits for monomerid = 50394138   
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))
BDBM50394138
PNG
(CHEMBL2158834)
Show SMILES OC(=O)c1cccnc1N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C23H27Cl2N3O3/c24-20-4-3-18(14-21(20)25)31-17-7-10-27(11-8-17)15-16-5-12-28(13-6-16)22-19(23(29)30)2-1-9-26-22/h1-4,9,14,16-17H,5-8,10-13,15H2,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
10n/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))
BDBM50394138
PNG
(CHEMBL2158834)
Show SMILES OC(=O)c1cccnc1N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C23H27Cl2N3O3/c24-20-4-3-18(14-21(20)25)31-17-7-10-27(11-8-17)15-16-5-12-28(13-6-16)22-19(23(29)30)2-1-9-26-22/h1-4,9,14,16-17H,5-8,10-13,15H2,(H,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
631n/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))
BDBM50394138
PNG
(CHEMBL2158834)
Show SMILES OC(=O)c1cccnc1N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C23H27Cl2N3O3/c24-20-4-3-18(14-21(20)25)31-17-7-10-27(11-8-17)15-16-5-12-28(13-6-16)22-19(23(29)30)2-1-9-26-22/h1-4,9,14,16-17H,5-8,10-13,15H2,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.16E+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