BDBM50060418 5-Methylsulfanyl-6-trifluoromethyl-2,3-dihydro-indole-1-carboxylic acid pyridin-3-ylamide::CHEMBL276140::SB 221284

SMILES CSc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F

InChI Key InChIKey=OQZOXHCRSXYSPM-UHFFFAOYSA-N

Data  6 KI  10 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 16 hits for monomerid = 50060418   

Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Vernalis Research

Curated by PDSP Ki Database
LigandPNGBDBM50060418(5-Methylsulfanyl-6-trifluoromethyl-2,3-dihydro-ind...)
Affinity DataKi:  2.19nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2B(Homo sapiens (Human))
Vernalis Research

Curated by PDSP Ki Database
LigandPNGBDBM50060418(5-Methylsulfanyl-6-trifluoromethyl-2,3-dihydro-ind...)
Affinity DataKi:  2.45nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Vernalis Research

Curated by PDSP Ki Database
LigandPNGBDBM50060418(5-Methylsulfanyl-6-trifluoromethyl-2,3-dihydro-ind...)
Affinity DataKi:  2.5nMAssay Description:Binding affinity towards cloned human 5-hydroxytryptamine 2C receptor expressed in HEK 293 cells using [3H]mesulergine as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2B(Homo sapiens (Human))
Vernalis Research

Curated by PDSP Ki Database
LigandPNGBDBM50060418(5-Methylsulfanyl-6-trifluoromethyl-2,3-dihydro-ind...)
Affinity DataKi:  13nMAssay Description:Binding affinity towards cloned human 5-hydroxytryptamine 2B receptor expressed in HEK 293 cells using [3H]5-HT as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50060418(5-Methylsulfanyl-6-trifluoromethyl-2,3-dihydro-ind...)
Affinity DataKi:  398nMAssay Description:Binding affinity towards human 5-hydroxytryptamine 2A receptor expressed in HEK 293 cells using [3H]ketanserin as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50060418(5-Methylsulfanyl-6-trifluoromethyl-2,3-dihydro-ind...)
Affinity DataKi:  550nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50060418(5-Methylsulfanyl-6-trifluoromethyl-2,3-dihydro-ind...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of heterologously expressed human Cytochrome P450 2C9 at 100 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50060418(5-Methylsulfanyl-6-trifluoromethyl-2,3-dihydro-ind...)
Affinity DataIC50:  13nMAssay Description:Inhibition of heterologously expressed human Cytochrome P450 1A2 at 500 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50060418(5-Methylsulfanyl-6-trifluoromethyl-2,3-dihydro-ind...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of heterologously expressed human cytochrome P450 2C19Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50060418(5-Methylsulfanyl-6-trifluoromethyl-2,3-dihydro-ind...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of heterologously expressed human Cytochrome P450 19A1 at 100 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50060418(5-Methylsulfanyl-6-trifluoromethyl-2,3-dihydro-ind...)
Affinity DataIC50:  110nMAssay Description:Inhibition of heterologously expressed human cytochrome P450 2D6Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50060418(5-Methylsulfanyl-6-trifluoromethyl-2,3-dihydro-ind...)
Affinity DataIC50:  13nMAssay Description:Inhibition of heterologously expressed human cytochrome P450 1A2Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50060418(5-Methylsulfanyl-6-trifluoromethyl-2,3-dihydro-ind...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of heterologously expressed human cytochrome P450 2C9Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50060418(5-Methylsulfanyl-6-trifluoromethyl-2,3-dihydro-ind...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of heterologously expressed human Cytochrome P450 3A at 100 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50060418(5-Methylsulfanyl-6-trifluoromethyl-2,3-dihydro-ind...)
Affinity DataIC50:  110nMAssay Description:Inhibition of heterologously expressed human Cytochrome P450 2D6 at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50060418(5-Methylsulfanyl-6-trifluoromethyl-2,3-dihydro-ind...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of heterologously expressed human cytochrome P450 3A4Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed