BindingDB logo
myBDB logout

null

SMILES: O=S(=O)(NCCCN1CCN(CC1)c1nsc2ccccc12)c1cccs1

InChI Key: InChIKey=KKOAHOJCVVPWLC-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 4 hits for monomerid = 50018029   
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 2A


(Homo sapiens (Human))
BDBM50018029
PNG
(CHEMBL3289950)
Show SMILES O=S(=O)(NCCCN1CCN(CC1)c1nsc2ccccc12)c1cccs1
Show InChI InChI=1S/C18H22N4O2S3/c23-27(24,17-7-3-14-25-17)19-8-4-9-21-10-12-22(13-11-21)18-15-5-1-2-6-16(15)26-20-18/h1-3,5-7,14,19H,4,8-13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.10n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50018029
PNG
(CHEMBL3289950)
Show SMILES O=S(=O)(NCCCN1CCN(CC1)c1nsc2ccccc12)c1cccs1
Show InChI InChI=1S/C18H22N4O2S3/c23-27(24,17-7-3-14-25-17)19-8-4-9-21-10-12-22(13-11-21)18-15-5-1-2-6-16(15)26-20-18/h1-3,5-7,14,19H,4,8-13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
23n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in CHO-K1 cell membrane after 120 mins by liquid scintillation counting analy...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50018029
PNG
(CHEMBL3289950)
Show SMILES O=S(=O)(NCCCN1CCN(CC1)c1nsc2ccccc12)c1cccs1
Show InChI InChI=1S/C18H22N4O2S3/c23-27(24,17-7-3-14-25-17)19-8-4-9-21-10-12-22(13-11-21)18-15-5-1-2-6-16(15)26-20-18/h1-3,5-7,14,19H,4,8-13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
56n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant D2 receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation coun...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50018029
PNG
(CHEMBL3289950)
Show SMILES O=S(=O)(NCCCN1CCN(CC1)c1nsc2ccccc12)c1cccs1
Show InChI InChI=1S/C18H22N4O2S3/c23-27(24,17-7-3-14-25-17)19-8-4-9-21-10-12-22(13-11-21)18-15-5-1-2-6-16(15)26-20-18/h1-3,5-7,14,19H,4,8-13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
140n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analy...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair