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3 similar compounds to monomer 50209858

Compile data set for download or QSAR
Wt: 402.5
BDBM50209855
Wt: 424.9
BDBM50209856
Wt: 401.2
BDBM50234561

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50209855,50209856,50234561   
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))
BDBM50209855
PNG
(CHEMBL3885319)
Show SMILES C(CCOc1cc(ncn1)-c1ccccc1)CCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C25H30N4O/c1-4-10-22(11-5-1)24-20-25(27-21-26-24)30-19-9-3-8-14-28-15-17-29(18-16-28)23-12-6-2-7-13-23/h1-2,4-7,10-13,20-21H,3,8-9,14-19H2
UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
34n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from recombinant human 5-HT1A receptor expressed in CHOK1 cell membranes after 1 hr by liquid scintillation counting m...


Bioorg Med Chem 25: 1250-1259 (2017)


Article DOI: 10.1016/j.bmc.2016.12.039
BindingDB Entry DOI: 10.7270/Q25T3NH5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50209856
PNG
(CHEMBL3885178)
Show SMILES Cc1nc2ccccc2c(=O)n1CCCCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H29ClN4O/c1-19-26-23-8-4-3-7-22(23)24(30)29(19)14-6-2-5-13-27-15-17-28(18-16-27)21-11-9-20(25)10-12-21/h3-4,7-12H,2,5-6,13-18H2,1H3
UniProtKB/SwissProt

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PubMed
100n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from recombinant human 5-HT1A receptor expressed in CHOK1 cell membranes after 1 hr by liquid scintillation counting m...


Bioorg Med Chem 25: 1250-1259 (2017)


Article DOI: 10.1016/j.bmc.2016.12.039
BindingDB Entry DOI: 10.7270/Q25T3NH5
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50209855
PNG
(CHEMBL3885319)
Show SMILES C(CCOc1cc(ncn1)-c1ccccc1)CCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C25H30N4O/c1-4-10-22(11-5-1)24-20-25(27-21-26-24)30-19-9-3-8-14-28-15-17-29(18-16-28)23-12-6-2-7-13-23/h1-2,4-7,10-13,20-21H,3,8-9,14-19H2
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143n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from recombinant human 5-HT7A receptor expressed in CHOK1 cell membranes after 40 mins by liquid scintillation counting met...


Bioorg Med Chem 25: 1250-1259 (2017)


Article DOI: 10.1016/j.bmc.2016.12.039
BindingDB Entry DOI: 10.7270/Q25T3NH5
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50209856
PNG
(CHEMBL3885178)
Show SMILES Cc1nc2ccccc2c(=O)n1CCCCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H29ClN4O/c1-19-26-23-8-4-3-7-22(23)24(30)29(19)14-6-2-5-13-27-15-17-28(18-16-27)21-11-9-20(25)10-12-21/h3-4,7-12H,2,5-6,13-18H2,1H3
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327n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from recombinant human 5-HT7A receptor expressed in CHOK1 cell membranes after 40 mins by liquid scintillation counting met...


Bioorg Med Chem 25: 1250-1259 (2017)


Article DOI: 10.1016/j.bmc.2016.12.039
BindingDB Entry DOI: 10.7270/Q25T3NH5
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50234561
PNG
(CHEMBL4090087)
Show SMILES COc1ccc(Br)cc1\C=C\C(=O)NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C16H21BrN2O5/c1-24-13-4-3-10(17)6-9(13)2-5-14(21)18-7-11-15(22)16(23)12(8-20)19-11/h2-6,11-12,15-16,19-20,22-23H,7-8H2,1H3,(H,18,21)/b5-2+/t11-,12-,15-,16+/m1/s1
PDB
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n/an/a 3.00E+3n/an/an/an/an/an/a



National Cheng-Kung University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human alpha GAL-A using 4-methylumbelliferyl alpha-D-galactopyranoside as substrate at pH 7 after 15 mins by fluorescence a...


Eur J Med Chem 126: 1-6 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.004
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50234561
PNG
(CHEMBL4090087)
Show SMILES COc1ccc(Br)cc1\C=C\C(=O)NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C16H21BrN2O5/c1-24-13-4-3-10(17)6-9(13)2-5-14(21)18-7-11-15(22)16(23)12(8-20)19-11/h2-6,11-12,15-16,19-20,22-23H,7-8H2,1H3,(H,18,21)/b5-2+/t11-,12-,15-,16+/m1/s1
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n/an/a 3.28E+4n/an/an/an/an/an/a



National Cheng-Kung University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human alpha GAL-A using 4-methylumbelliferyl alpha-D-galactopyranoside as substrate at pH 4.6 after 15 mins by fluorescence...


Eur J Med Chem 126: 1-6 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.004
More data for this
Ligand-Target Pair