BDBM50554192 CHEMBL4743059

SMILES [H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H](C(C)C)C3CC3)nc(I)nc12

InChI Key InChIKey=QRTOZRNSWLTZJK-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50554192   

TargetAdenosine receptor A1(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50554192(CHEMBL4743059)
Affinity DataKi:  31nMAssay Description:Displacement of [3H]-mesulergine from human A1AR expressed in Flp-In-T-REx-293 cells assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
Target5-hydroxytryptamine receptor 2B(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50554192(CHEMBL4743059)
Affinity DataKi:  82nMAssay Description:Displacement of [3H]-LSD from human 5-HT2B receptor expressed in HEK cells assessed as inhibition constant incubated for 1 hrMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
Target5-hydroxytryptamine receptor 2C(Human)
National Institute of Diabetes and Digestive and Kidney Disease

Curated by ChEMBL
LigandPNGBDBM50554192(CHEMBL4743059)
Affinity DataKi:  170nMAssay Description:Binding affinity to 5HT2C (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2B(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50554192(CHEMBL4743059)
Affinity DataKi:  170nMAssay Description:Binding affinity to 5HT2B (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Human)
National Institute of Diabetes and Digestive and Kidney Disease

Curated by ChEMBL
LigandPNGBDBM50554192(CHEMBL4743059)
Affinity DataKi:  904nMAssay Description:Displacement of [3H]-Mesulergine from human 5-HT2C expressed in Flp-In-T-REx-293 cells assessed as inhibition constant incubated for 1 hrMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50554192(CHEMBL4743059)
Affinity DataKi:  1.17E+4nMAssay Description:Displacement of [3H]-CGS21680 from human A3AR expressed in HEK cells assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed