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BDBM50492429 CHEMBL3215698

SMILES: Cl.Cl.Cl.CN1CCN(Cc2cccc3c2oc2cc(Cl)ccc2c3=O)CC1

InChI Key: InChIKey=RXSHWXGICAGMFZ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50492429   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50492429
PNG
(CHEMBL3215698)
Show SMILES Cl.Cl.Cl.CN1CCN(Cc2cccc3c2oc2cc(Cl)ccc2c3=O)CC1
Show InChI InChI=1S/C19H19ClN2O2/c1-21-7-9-22(10-8-21)12-13-3-2-4-16-18(23)15-6-5-14(20)11-17(15)24-19(13)16/h2-6,11H,7-10,12H2,1H3
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PC sid
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PubMed
650n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha1-adrenergic receptor in rat cerebral cortex after 30 mins by scintillation counting


Bioorg Med Chem Lett 23: 4419-23 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.062
BindingDB Entry DOI: 10.7270/Q2SX6H5S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50492429
PNG
(CHEMBL3215698)
Show SMILES Cl.Cl.Cl.CN1CCN(Cc2cccc3c2oc2cc(Cl)ccc2c3=O)CC1
Show InChI InChI=1S/C19H19ClN2O2/c1-21-7-9-22(10-8-21)12-13-3-2-4-16-18(23)15-6-5-14(20)11-17(15)24-19(13)16/h2-6,11H,7-10,12H2,1H3
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antibodypedia
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UniChem
Article
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1.05E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7b receptor expressed in HEK293 cells after 1 hr


Bioorg Med Chem Lett 23: 4419-23 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.062
BindingDB Entry DOI: 10.7270/Q2SX6H5S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50492429
PNG
(CHEMBL3215698)
Show SMILES Cl.Cl.Cl.CN1CCN(Cc2cccc3c2oc2cc(Cl)ccc2c3=O)CC1
Show InChI InChI=1S/C19H19ClN2O2/c1-21-7-9-22(10-8-21)12-13-3-2-4-16-18(23)15-6-5-14(20)11-17(15)24-19(13)16/h2-6,11H,7-10,12H2,1H3
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UniProtKB/TrEMBL

antibodypedia
GoogleScholar
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PC sid
UniChem
Article
PubMed
1.33E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 1 hr


Bioorg Med Chem Lett 23: 4419-23 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.062
BindingDB Entry DOI: 10.7270/Q2SX6H5S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50492429
PNG
(CHEMBL3215698)
Show SMILES Cl.Cl.Cl.CN1CCN(Cc2cccc3c2oc2cc(Cl)ccc2c3=O)CC1
Show InChI InChI=1S/C19H19ClN2O2/c1-21-7-9-22(10-8-21)12-13-3-2-4-16-18(23)15-6-5-14(20)11-17(15)24-19(13)16/h2-6,11H,7-10,12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
1.95E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells after 1 hr


Bioorg Med Chem Lett 23: 4419-23 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.062
BindingDB Entry DOI: 10.7270/Q2SX6H5S
More data for this
Ligand-Target Pair