BDBM250361 US10501411, Example 271::US11312711, Example 7::US11697636, Example 271::US9452980, 271

SMILES Clc1cc(cc(Cl)n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1

InChI Key InChIKey=AIXPUCAPNGLHLG-CYBMUJFWSA-N

Data  8 KI  2 IC50  2 EC50

  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 12 hits for monomerid = 250361   

TargetTrace amine-associated receptor 1(Rattus norvegicus (Rat))
Hoffmann-La Roche

US Patent
LigandPNGBDBM250361(US10501411, Example 271 | US11312711, Example 7 | ...)
Affinity DataKi:  4nMAssay Description:Rat: The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetTrace amine-associated receptor 1(Rattus norvegicus (Rat))
Hoffmann-La Roche

US Patent
LigandPNGBDBM250361(US10501411, Example 271 | US11312711, Example 7 | ...)
Affinity DataKi:  4nMAssay Description:The TAAR1 radioligand 3[H]—(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetTrace amine-associated receptor 1(Rattus norvegicus (Rat))
Hoffmann-La Roche

US Patent
LigandPNGBDBM250361(US10501411, Example 271 | US11312711, Example 7 | ...)
Affinity DataKi:  4nM ΔG°:  -11.9kcal/molepH: 7.4 T: 2°CAssay Description:HEK-293 cells stably expressing rat TAAR1 were maintained at 37° C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, hea...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetTrace amine-associated receptor 1(Mus musculus (Mouse))
Hoffmann-La Roche

US Patent
LigandPNGBDBM250361(US10501411, Example 271 | US11312711, Example 7 | ...)
Affinity DataKi:  6.70nMAssay Description:The TAAR1 radioligand 3[H]—(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetTrace amine-associated receptor 1(Mus musculus (Mouse))
Hoffmann-La Roche

US Patent
LigandPNGBDBM250361(US10501411, Example 271 | US11312711, Example 7 | ...)
Affinity DataKi:  6.70nMAssay Description:Mouse: The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concen...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetTrace amine-associated receptor 1(Mus musculus (Mouse))
Hoffmann-La Roche

US Patent
LigandPNGBDBM250361(US10501411, Example 271 | US11312711, Example 7 | ...)
Affinity DataKi:  6.70nM ΔG°:  -11.6kcal/molepH: 7.4 T: 2°CAssay Description:HEK-293 cells stably expressing mouse TAAR1 were maintained at 37° C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, h...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Hoffmann-La Roche

US Patent
LigandPNGBDBM250361(US10501411, Example 271 | US11312711, Example 7 | ...)
Affinity DataKi:  790nMAssay Description:Binding to dopamine transporter (DAT) in vitro. Human embryonic kidney (HEK) 293 cells (Invitrogen, Zug, Switzerland) stably transfected with human D...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Hoffmann-La Roche

US Patent
LigandPNGBDBM250361(US10501411, Example 271 | US11312711, Example 7 | ...)
Affinity DataKi:  790nMAssay Description:Binding to dopamine transporter (DAT) in vitro. Human embryonic kidney (HEK) 293 cells (Invitrogen, Zug, Switzerland) stably transfected with human D...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetTrace amine-associated receptor 1(Homo sapiens (Human))
Hoffmann-La Roche

US Patent
LigandPNGBDBM250361(US10501411, Example 271 | US11312711, Example 7 | ...)
Affinity DataEC50:  84.9nMAssay Description:For the construction of expression plasmids the coding sequences of human TAAR1 were amplified from genomic DNA essentially as described by Lindemann...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetTrace amine-associated receptor 1(Homo sapiens (Human))
Hoffmann-La Roche

US Patent
LigandPNGBDBM250361(US10501411, Example 271 | US11312711, Example 7 | ...)
Affinity DataEC50:  84.9nMAssay Description:For the construction of expression plasmids the coding sequences of human TAAR 1 were amplified from genomic DNA essentially as described by Lindeman...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Hoffmann-La Roche

US Patent
LigandPNGBDBM250361(US10501411, Example 271 | US11312711, Example 7 | ...)
Affinity DataIC50:  1.14E+4nMAssay Description:The whole-cell patch-clamp technique was used to investigate the effects of the test items on hERG (human-ether-a-go-go related gene) potassium chann...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Hoffmann-La Roche

US Patent
LigandPNGBDBM250361(US10501411, Example 271 | US11312711, Example 7 | ...)
Affinity DataIC50:  1.14E+4nMAssay Description:The whole-cell patch-clamp technique was used to investigate the effects of the test items on hERG (human-ether-a-go-go related gene) potassium chann...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent