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BDBM50018241 CHEMBL3290006

SMILES: Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1

InChI Key: InChIKey=LSCFXOJSPYZWQQ-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 = 50018241   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50018241
PNG
(CHEMBL3290006)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H28FN3O3S/c27-22-8-10-24-25(18-22)33-29-26(24)20-11-15-30(16-12-20)14-4-3-13-28-34(31,32)23-9-7-19-5-1-2-6-21(19)17-23/h1-2,5-10,17-18,20,28H,3-4,11-16H2
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UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.10n/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 7 (5-HT7)


(Homo sapiens (Human))
BDBM50018241
PNG
(CHEMBL3290006)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H28FN3O3S/c27-22-8-10-24-25(18-22)33-29-26(24)20-11-15-30(16-12-20)14-4-3-13-28-34(31,32)23-9-7-19-5-1-2-6-21(19)17-23/h1-2,5-10,17-18,20,28H,3-4,11-16H2
Reactome pathway
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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.40n/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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018241
PNG
(CHEMBL3290006)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H28FN3O3S/c27-22-8-10-24-25(18-22)33-29-26(24)20-11-15-30(16-12-20)14-4-3-13-28-34(31,32)23-9-7-19-5-1-2-6-21(19)17-23/h1-2,5-10,17-18,20,28H,3-4,11-16H2
Reactome pathway
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DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.70n/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 6 (5-HT6)


(Homo sapiens (Human))
BDBM50018241
PNG
(CHEMBL3290006)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H28FN3O3S/c27-22-8-10-24-25(18-22)33-29-26(24)20-11-15-30(16-12-20)14-4-3-13-28-34(31,32)23-9-7-19-5-1-2-6-21(19)17-23/h1-2,5-10,17-18,20,28H,3-4,11-16H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.40n/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