BDBM334973 US11040966, Example 5.36::US9732075, Example 5.36::US9914721, Ex. 7::[(S)-2-(5-Chloro-4-methyl-1H-benzoimidazol-2-yl)-2-methyl-pyrrolidin-1-yl]-(5-methoxy-2-[1,2,3]triazol-2-yl-phenyl)-methanone

SMILES COc1ccc(c(c1)C(=O)N1CCC[C@@]1(C)c1nc2c(C)c(Cl)ccc2[nH]1)-n1nccn1

InChI Key InChIKey=NBGABHGMJVIVBW-QHCPKHFHSA-N

Data  2 KI  4 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 6 hits for monomerid = 334973   

TargetOrexin receptor type 2(Human)
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM334973(US11040966, Example 5.36 | US9732075, Example 5.36...)
Affinity DataKi:  1.30nMAssay Description:Displacement of [3H]4-(2,6-Difluoro-4-methoxybenzyl)-2-(5,6-dimethoxypyridin-3-yl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide from human wild-typ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin/Hypocretin receptor type 1(Human)
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM334973(US11040966, Example 5.36 | US9732075, Example 5.36...)
Affinity DataKi:  1.60nMAssay Description:Displacement of [3H]4-(2,6-Difluoro-4-methoxybenzyl)-2-(5,6-dimethoxypyridin-3-yl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide from human wild-typ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin receptor type 2(Human)
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM334973(US11040966, Example 5.36 | US9732075, Example 5.36...)
Affinity DataIC50:  3nMAssay Description:Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetOrexin receptor type 2(Human)
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM334973(US11040966, Example 5.36 | US9732075, Example 5.36...)
Affinity DataIC50:  3nMAssay Description:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetOrexin/Hypocretin receptor type 1(Human)
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM334973(US11040966, Example 5.36 | US9732075, Example 5.36...)
Affinity DataIC50:  2nMAssay Description:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetOrexin/Hypocretin receptor type 1(Human)
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM334973(US11040966, Example 5.36 | US9732075, Example 5.36...)
Affinity DataIC50:  2nMAssay Description:Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...More data for this Ligand-Target Pair
In DepthDetails US Patent