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SMILES: COc1ccc(cc1)-c1ccccc1N1CCN(CCOCCC(=O)NCc2ccc(F)nc2)CC1

InChI Key: InChIKey=MDEUQQCHGQKBNS-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 = 50495573   
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
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50495573
PNG
(CHEMBL3113594)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCOCCC(=O)NCc2ccc(F)nc2)CC1
Show InChI InChI=1S/C28H33FN4O3/c1-35-24-9-7-23(8-10-24)25-4-2-3-5-26(25)33-15-13-32(14-16-33)17-19-36-18-12-28(34)31-21-22-6-11-27(29)30-20-22/h2-11,20H,12-19,21H2,1H3,(H,31,34)
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
35n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7 receptor transfected in HEK293 cells after 60 mins


Bioorg Med Chem 22: 1736-50 (2014)


Article DOI: 10.1016/j.bmc.2014.01.016
BindingDB Entry DOI: 10.7270/Q2JW8HV0
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50495573
PNG
(CHEMBL3113594)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCOCCC(=O)NCc2ccc(F)nc2)CC1
Show InChI InChI=1S/C28H33FN4O3/c1-35-24-9-7-23(8-10-24)25-4-2-3-5-26(25)33-15-13-32(14-16-33)17-19-36-18-12-28(34)31-21-22-6-11-27(29)30-20-22/h2-11,20H,12-19,21H2,1H3,(H,31,34)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
386n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from rat brain alpha1 adrenergic receptor after 50 mins


Bioorg Med Chem 22: 1736-50 (2014)


Article DOI: 10.1016/j.bmc.2014.01.016
BindingDB Entry DOI: 10.7270/Q2JW8HV0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50495573
PNG
(CHEMBL3113594)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCOCCC(=O)NCc2ccc(F)nc2)CC1
Show InChI InChI=1S/C28H33FN4O3/c1-35-24-9-7-23(8-10-24)25-4-2-3-5-26(25)33-15-13-32(14-16-33)17-19-36-18-12-28(34)31-21-22-6-11-27(29)30-20-22/h2-11,20H,12-19,21H2,1H3,(H,31,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
568n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor transfected in HEK293-EBNA cells after 120 mins


Bioorg Med Chem 22: 1736-50 (2014)


Article DOI: 10.1016/j.bmc.2014.01.016
BindingDB Entry DOI: 10.7270/Q2JW8HV0
More data for this
Ligand-Target Pair