BDBM50240412 3-(4-{7-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexenylamino]heptylamino}-1-cyclohexenyl)-1H-5-indolecarboxamide::CHEMBL22744

SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1

InChI Key InChIKey=LXWHNYYETIMYQL-UHFFFAOYSA-N

Data  7 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50240412   

Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM50240412(3-(4-{7-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Affinity DataIC50:  1.80nMAssay Description:Binding affinity to 5HT1A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM50240412(3-(4-{7-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Affinity DataIC50:  99nMAssay Description:Binding affinity to 5HT1E receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM50240412(3-(4-{7-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Affinity DataIC50:  0.0500nMAssay Description:Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM50240412(3-(4-{7-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Affinity DataIC50:  0.0500nMAssay Description:Inhibitory activity against 5-hydroxytryptamine 1D receptor subtypeMore data for this Ligand-Target Pair
In DepthDetails Article
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50240412(3-(4-{7-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Affinity DataIC50:  17.7nMAssay Description:Ability to inhibit Serotonin transporterMore data for this Ligand-Target Pair
In DepthDetails Article
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50240412(3-(4-{7-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Affinity DataIC50:  1.83nMAssay Description:Inhibitory activity against 5-hydroxytryptamine 1A receptor receptor subtypeMore data for this Ligand-Target Pair
In DepthDetails Article
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM50240412(3-(4-{7-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Affinity DataIC50:  99nMAssay Description:Inhibitory activity against 5-hydroxytryptamine 1E receptor subtypeMore data for this Ligand-Target Pair
In DepthDetails Article