BindingDB logo
myBDB logout

BDBM50004686 CHEMBL3233678

SMILES: Cl.CC1(C)N(CCCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)N(Cc2ccc(Cl)cc2Cl)C1=O

InChI Key: InChIKey=YESSCTJUTRBLCX-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 = 50004686   
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))
BDBM50004686
PNG
(CHEMBL3233678)
Show SMILES Cl.CC1(C)N(CCCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)N(Cc2ccc(Cl)cc2Cl)C1=O
Show InChI InChI=1S/C27H33Cl3N4O2.ClH/c1-27(2)25(35)33(19-20-6-7-22(29)18-24(20)30)26(36)34(27)13-5-3-4-12-31-14-16-32(17-15-31)23-10-8-21(28)9-11-23;/h6-11,18H,3-5,12-17,19H2,1-2H3;1H
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
456n/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 1A


(Homo sapiens (Human))
BDBM50004686
PNG
(CHEMBL3233678)
Show SMILES Cl.CC1(C)N(CCCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)N(Cc2ccc(Cl)cc2Cl)C1=O
Show InChI InChI=1S/C27H33Cl3N4O2.ClH/c1-27(2)25(35)33(19-20-6-7-22(29)18-24(20)30)26(36)34(27)13-5-3-4-12-31-14-16-32(17-15-31)23-10-8-21(28)9-11-23;/h6-11,18H,3-5,12-17,19H2,1-2H3;1H
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.18E+3n/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 6


(Homo sapiens (Human))
BDBM50004686
PNG
(CHEMBL3233678)
Show SMILES Cl.CC1(C)N(CCCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)N(Cc2ccc(Cl)cc2Cl)C1=O
Show InChI InChI=1S/C27H33Cl3N4O2.ClH/c1-27(2)25(35)33(19-20-6-7-22(29)18-24(20)30)26(36)34(27)13-5-3-4-12-31-14-16-32(17-15-31)23-10-8-21(28)9-11-23;/h6-11,18H,3-5,12-17,19H2,1-2H3;1H
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.88E+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