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BDBM50018204 CHEMBL3289992

SMILES: Cc1cccc(c1)S(=O)(=O)NCCCCN1CCC(CC1)c1noc2cc(F)ccc12

InChI Key: InChIKey=BPVLKJSAFIGBKX-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 = 50018204   
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))
BDBM50018204
PNG
(CHEMBL3289992)
Show SMILES Cc1cccc(c1)S(=O)(=O)NCCCCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H28FN3O3S/c1-17-5-4-6-20(15-17)31(28,29)25-11-2-3-12-27-13-9-18(10-14-27)23-21-8-7-19(24)16-22(21)30-26-23/h4-8,15-16,18,25H,2-3,9-14H2,1H3
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Article
PubMed
1.5n/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))
BDBM50018204
PNG
(CHEMBL3289992)
Show SMILES Cc1cccc(c1)S(=O)(=O)NCCCCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H28FN3O3S/c1-17-5-4-6-20(15-17)31(28,29)25-11-2-3-12-27-13-9-18(10-14-27)23-21-8-7-19(24)16-22(21)30-26-23/h4-8,15-16,18,25H,2-3,9-14H2,1H3
PDB
MMDB

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PubMed
2.10n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50018204
PNG
(CHEMBL3289992)
Show SMILES Cc1cccc(c1)S(=O)(=O)NCCCCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H28FN3O3S/c1-17-5-4-6-20(15-17)31(28,29)25-11-2-3-12-27-13-9-18(10-14-27)23-21-8-7-19(24)16-22(21)30-26-23/h4-8,15-16,18,25H,2-3,9-14H2,1H3
PDB

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Article
PubMed
17n/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))
BDBM50018204
PNG
(CHEMBL3289992)
Show SMILES Cc1cccc(c1)S(=O)(=O)NCCCCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H28FN3O3S/c1-17-5-4-6-20(15-17)31(28,29)25-11-2-3-12-27-13-9-18(10-14-27)23-21-8-7-19(24)16-22(21)30-26-23/h4-8,15-16,18,25H,2-3,9-14H2,1H3
Reactome pathway
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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