BDBM294910 #49406123#4-{[5-(4,6-Dimethylpyrimidin-2-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]carbonyl}-3-(2H-1,2,3-triazol-2-yl)phenol::US9586962, Example 466

SMILES COc1ccc(C(=O)N2CC3CN(CC3C2)c2nc(C)cc(C)n2)c(c1)-c1ncco1

InChI Key InChIKey=XTOVVNFOEMHOJD-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 294910   

TargetOrexin/Hypocretin receptor type 1(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM294910(US9586962, Example 466 | #49406123#4-{[5-(4,6-Dime...)
Affinity DataKi:  13nM ΔG°:  -10.8kcal/moleT: 2°CAssay Description:Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2019
Entry Details
US Patent

TargetOrexin receptor type 2(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM294910(US9586962, Example 466 | #49406123#4-{[5-(4,6-Dime...)
Affinity DataKi:  1.05E+3nM ΔG°:  -8.15kcal/moleT: 2°CAssay Description:HEK293 stably expressing human orexin-2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco, Cat #11039), in D...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2019
Entry Details
US Patent