BDBM50026707 (5'alpha)-2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-3',6',18-trioxoergotaman::(5'alpha)-2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)ergotaman-3',6',18-trione::(5'alpha)-2-bromo-12'-hydroxy-5'-(2-methylpropyl)-2'-(propan-2-yl)-3',6',18-trioxoergotaman::(5'alpha)-2-bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman::2-bromo-alpha-ergocryptine::2-bromo-alpha-ergokryptin::2-bromo-alpha-ergokryptine::BROMOCRIPTINE::CHEMBL493::bromocryptine::bromoergocriptine

SMILES CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5Cc6c7c(cccc7[nH]c6Br)C5=C4)C)O

InChI Key InChIKey=OZVBMTJYIDMWIL-UHFFFAOYSA-N

PDB links: 4 PDB IDs match this monomer.

  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 8 hits for monomerid = 50026707   

TargetD(2) dopamine receptor(Human)
City University of New York

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50026707BDBM50026707((5'alpha)-2-bromo-12'-hydroxy-5'-(2-methylpropyl)-...)
Affinity DataKi:  10nMAssay Description:Binding affinity to D2 receptor (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetAlpha-1A adrenergic receptor(Human)
City University of New York

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50026707BDBM50026707((5'alpha)-2-bromo-12'-hydroxy-5'-(2-methylpropyl)-...)
Affinity DataKi:  18nMAssay Description:Binding affinity to alpha1A adrenergic receptor (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
Target5-hydroxytryptamine receptor 1A(Human)
City University of New York

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50026707BDBM50026707((5'alpha)-2-bromo-12'-hydroxy-5'-(2-methylpropyl)-...)
Affinity DataKi:  24nMAssay Description:Binding affinity to 5HT1A receptor (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetAlpha-2A adrenergic receptor(Human)
City University of New York

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50026707BDBM50026707((5'alpha)-2-bromo-12'-hydroxy-5'-(2-methylpropyl)-...)
Affinity DataKi:  26nMAssay Description:Binding affinity to alpha2A adrenergic receptor (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetD(3) dopamine receptor(Human)
City University of New York

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50026707BDBM50026707((5'alpha)-2-bromo-12'-hydroxy-5'-(2-methylpropyl)-...)
Affinity DataKi:  87nMAssay Description:Binding affinity to D3 receptor (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
Target5-hydroxytryptamine receptor 2A(Human)
City University of New York

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50026707BDBM50026707((5'alpha)-2-bromo-12'-hydroxy-5'-(2-methylpropyl)-...)
Affinity DataKi:  119nMAssay Description:Binding affinity to 5HT2A (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetD(4) dopamine receptor(Human)
City University of New York

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50026707BDBM50026707((5'alpha)-2-bromo-12'-hydroxy-5'-(2-methylpropyl)-...)
Affinity DataKi:  373nMAssay Description:Binding affinity to D4 receptor (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetD(1A) dopamine receptor(Human)
City University of New York

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50026707BDBM50026707((5'alpha)-2-bromo-12'-hydroxy-5'-(2-methylpropyl)-...)
Affinity DataKi:  3.42E+3nMAssay Description:Binding affinity to D1 receptor (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed