BDBM50230167 CHEMBL4071220::US10377763, Example 21

SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)CC[C@H]2N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1cccc(Br)c1)ccc3OC

InChI Key InChIKey=VBNUIAADDQWODP-JKKCREDMSA-N

Data  1 KI  2 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 3 hits for monomerid = 50230167   

TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
University Of Tsukuba

Curated by ChEMBL
LigandPNGBDBM50230167(CHEMBL4071220 | US10377763, Example 21)
Affinity DataKi:  2.30nMAssay Description:Antagonist activity at human OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular calcium level preincubated for 15...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin receptor type 2(Homo sapiens (Human))
University Of Tsukuba

US Patent
LigandPNGBDBM50230167(CHEMBL4071220 | US10377763, Example 21)
Affinity DataIC50: >1.00E+4nMAssay Description:The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
University Of Tsukuba

Curated by ChEMBL
LigandPNGBDBM50230167(CHEMBL4071220 | US10377763, Example 21)
Affinity DataIC50:  200nMAssay Description:The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...More data for this Ligand-Target Pair
In DepthDetails US Patent