BindingDB logo
myBDB logout

BDBM50018249 CHEMBL3290015

SMILES: Cc1c(sc2ccc(F)cc12)S(=O)(=O)NCCCN1CCC(CC1)c1noc2cc(F)ccc12

InChI Key: InChIKey=RAYWFVBTQQRRAT-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 = 50018249   
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))
BDBM50018249
PNG
(CHEMBL3290015)
Show SMILES Cc1c(sc2ccc(F)cc12)S(=O)(=O)NCCCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C24H25F2N3O3S2/c1-15-20-13-17(25)4-6-22(20)33-24(15)34(30,31)27-9-2-10-29-11-7-16(8-12-29)23-19-5-3-18(26)14-21(19)32-28-23/h3-6,13-14,16,27H,2,7-12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
2.30n/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))
BDBM50018249
PNG
(CHEMBL3290015)
Show SMILES Cc1c(sc2ccc(F)cc12)S(=O)(=O)NCCCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C24H25F2N3O3S2/c1-15-20-13-17(25)4-6-22(20)33-24(15)34(30,31)27-9-2-10-29-11-7-16(8-12-29)23-19-5-3-18(26)14-21(19)32-28-23/h3-6,13-14,16,27H,2,7-12H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8n/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


(Homo sapiens (Human))
BDBM50018249
PNG
(CHEMBL3290015)
Show SMILES Cc1c(sc2ccc(F)cc12)S(=O)(=O)NCCCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C24H25F2N3O3S2/c1-15-20-13-17(25)4-6-22(20)33-24(15)34(30,31)27-9-2-10-29-11-7-16(8-12-29)23-19-5-3-18(26)14-21(19)32-28-23/h3-6,13-14,16,27H,2,7-12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/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 6


(Homo sapiens (Human))
BDBM50018249
PNG
(CHEMBL3290015)
Show SMILES Cc1c(sc2ccc(F)cc12)S(=O)(=O)NCCCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C24H25F2N3O3S2/c1-15-20-13-17(25)4-6-22(20)33-24(15)34(30,31)27-9-2-10-29-11-7-16(8-12-29)23-19-5-3-18(26)14-21(19)32-28-23/h3-6,13-14,16,27H,2,7-12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
25n/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