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BDBM50004647 CHEMBL3233671

SMILES: Cl.CC1(C)N(CCCCCN2CCN(CC2)c2ccccc2F)C(=O)N(Cc2ccccc2)C1=O

InChI Key: InChIKey=BBSHNIFJIZMMDY-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50004647   
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 1A


(Homo sapiens (Human))
BDBM50004647
PNG
(CHEMBL3233671)
Show SMILES Cl.CC1(C)N(CCCCCN2CCN(CC2)c2ccccc2F)C(=O)N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C27H35FN4O2.ClH/c1-27(2)25(33)31(21-22-11-5-3-6-12-22)26(34)32(27)16-10-4-9-15-29-17-19-30(20-18-29)24-14-8-7-13-23(24)28;/h3,5-8,11-14H,4,9-10,15-21H2,1-2H3;1H
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
76n/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 recombinant 5-HT1A receptor expressed in HEK293 cell membrane after 1 hr by Microbeta scintillation countin...


Eur J Med Chem 78: 324-39 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.065
BindingDB Entry DOI: 10.7270/Q2J104Q0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50004647
PNG
(CHEMBL3233671)
Show SMILES Cl.CC1(C)N(CCCCCN2CCN(CC2)c2ccccc2F)C(=O)N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C27H35FN4O2.ClH/c1-27(2)25(33)31(21-22-11-5-3-6-12-22)26(34)32(27)16-10-4-9-15-29-17-19-30(20-18-29)24-14-8-7-13-23(24)28;/h3,5-8,11-14H,4,9-10,15-21H2,1-2H3;1H
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
135n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human recombinant 5-HT7 receptor expressed in HEK293 cell membrane after 1 hr by Microbeta scintillation counting anal...


Eur J Med Chem 78: 324-39 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.065
BindingDB Entry DOI: 10.7270/Q2J104Q0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50004647
PNG
(CHEMBL3233671)
Show SMILES Cl.CC1(C)N(CCCCCN2CCN(CC2)c2ccccc2F)C(=O)N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C27H35FN4O2.ClH/c1-27(2)25(33)31(21-22-11-5-3-6-12-22)26(34)32(27)16-10-4-9-15-29-17-19-30(20-18-29)24-14-8-7-13-23(24)28;/h3,5-8,11-14H,4,9-10,15-21H2,1-2H3;1H
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.51E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 1 hr by Microbeta scintillation counting analy...


Eur J Med Chem 78: 324-39 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.065
BindingDB Entry DOI: 10.7270/Q2J104Q0
More data for this
Ligand-Target Pair