BDBM50295557 7-Methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline-9-carboxylic acid ((2R,5S,10bS)-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxo-octahydro-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-amide::7-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (5-benzyl-10b-hydroxy-2-methyl-3,6-dioxo-octahydro-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-amide::CHEMBL1732::DIHYDROERGOTAMINE::Dihydroer-gotamin

SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O

InChI Key InChIKey=LUZRJRNZXALNLM-JGRZULCMSA-N

Data  5 KI  8 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50295557   

TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

LigandPNGBDBM50295557(7-Methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-...)
Affinity DataKi:  1.07E+5nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50295557(7-Methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-...)
Affinity DataKi:  1.20E+5nMAssay Description:TP_TRANSPORTER: increase in Vinblastine intracellular accumulation in MDR1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Mus musculus (Mouse))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM50295557(7-Methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-...)
Affinity DataKi: >1.00E+6nMAssay Description:TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in mdr1a-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Mus musculus)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM50295557(7-Methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-...)
Affinity DataKi: >1.00E+6nMAssay Description:TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in mdr1b-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50295557(7-Methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-...)
Affinity DataKi: >1.00E+6nMAssay Description:TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in MDR1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug and toxin extrusion protein 2(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50295557(7-Methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-...)
Affinity DataIC50:  1.26E+4nMAssay Description:Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 2(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50295557(7-Methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-...)
Affinity DataIC50:  4.99E+4nMAssay Description:Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50295557(7-Methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-...)
Affinity DataIC50:  27nMAssay Description:Inhibition of specific [3H]-prazosin binding (0.2 nM) to rat brain membranes alpha-1 adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50295557(7-Methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-...)
Affinity DataIC50:  3.70nMAssay Description:Inhibition of specific [3H]prazosin binding (0.2 nM) to rat brain membranes alpha-1 adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholecystokinin receptor type A(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50295557(7-Methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-...)
Affinity DataIC50: >8.00E+4nMAssay Description:Concentration of compound required to inhibit binding of [125I]J-BH-CCK-8 radioligand to CCKA in mouse pancreatic membranesMore data for this Ligand-Target Pair
In DepthDetails Article
LigandPNGBDBM50295557(7-Methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-...)
Affinity DataIC50:  2.30E+4nMAssay Description:Concentration of compound required to inhibit binding of [125I]J-BH-CCK-8 radioligand to CCKB in mouse fore brain membranesMore data for this Ligand-Target Pair
In DepthDetails Article
TargetCytochrome P450 3A4(Homo sapiens (Human))
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50295557(7-Methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-...)
Affinity DataIC50:  3.00E+3nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetMultidrug and toxin extrusion protein 1(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50295557(7-Methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-...)
Affinity DataIC50:  2.80E+3nMAssay Description:Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed