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2 similar compounds to monomer 50043661

Compile data set for download or QSAR
Wt: 426.5
BDBM50043660
Wt: 426.5
BDBM50291354

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50043660,50291354   
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 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50291354
PNG
(2-[3-((S)-5-Methoxy-1,3,4,4a,9,9a-hexahydro-indeno...)
Show SMILES COc1cccc2C[C@@H]3CN(CCCN4C(=O)c5ccccc5S4(=O)=O)CCC3c12
Show InChI InChI=1S/C23H26N2O4S/c1-29-20-8-4-6-16-14-17-15-24(13-10-18(17)22(16)20)11-5-12-25-23(26)19-7-2-3-9-21(19)30(25,27)28/h2-4,6-9,17-18H,5,10-15H2,1H3/t17-,18?/m1/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
0.890n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50043660
PNG
(2-[3-(5-Methoxy-1,3,4,4a,9,9a-hexahydro-indeno[2,1...)
Show SMILES COc1cccc2CC3CN(CCCN4C(=O)c5ccccc5S4(=O)=O)CCC3c12
Show InChI InChI=1S/C23H26N2O4S/c1-29-20-8-4-6-16-14-17-15-24(13-10-18(17)22(16)20)11-5-12-25-23(26)19-7-2-3-9-21(19)30(25,27)28/h2-4,6-9,17-18H,5,10-15H2,1H3
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
0.890n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor with [3H]5-HT


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50043660
PNG
(2-[3-(5-Methoxy-1,3,4,4a,9,9a-hexahydro-indeno[2,1...)
Show SMILES COc1cccc2CC3CN(CCCN4C(=O)c5ccccc5S4(=O)=O)CCC3c12
Show InChI InChI=1S/C23H26N2O4S/c1-29-20-8-4-6-16-14-17-15-24(13-10-18(17)22(16)20)11-5-12-25-23(26)19-7-2-3-9-21(19)30(25,27)28/h2-4,6-9,17-18H,5,10-15H2,1H3
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
845n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT binding to 5-hydroxytryptamine 1B receptor


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair