BDBM30702 ERGOCRISTINE::MLS000069350::SMR000058447::cid_31116

SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]21O)C(C)C

InChI Key InChIKey=HEFIYUQVAZFDEE-MKTPKCENSA-N

Data  10 KI  1 EC50

  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 11 hits for monomerid = 30702   

TargetD(2) dopamine receptor(BOVINE)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM30702(ERGOCRISTINE | MLS000069350 | SMR000058447 | cid_3...)
Affinity DataKi:  1.40nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM30702(ERGOCRISTINE | MLS000069350 | SMR000058447 | cid_3...)
Affinity DataKi:  6.30nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM30702(ERGOCRISTINE | MLS000069350 | SMR000058447 | cid_3...)
Affinity DataKi:  6.40nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM30702(ERGOCRISTINE | MLS000069350 | SMR000058447 | cid_3...)
Affinity DataKi:  18nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM30702(ERGOCRISTINE | MLS000069350 | SMR000058447 | cid_3...)
Affinity DataKi:  19nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A) dopamine receptor(BOVINE)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM30702(ERGOCRISTINE | MLS000069350 | SMR000058447 | cid_3...)
Affinity DataKi:  52nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM30702(ERGOCRISTINE | MLS000069350 | SMR000058447 | cid_3...)
Affinity DataKi:  1.33E+4nMAssay 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)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM30702(ERGOCRISTINE | MLS000069350 | SMR000058447 | cid_3...)
Affinity DataKi:  1.53E+4nMAssay 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(Mus musculus (Mouse))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM30702(ERGOCRISTINE | MLS000069350 | SMR000058447 | cid_3...)
Affinity DataKi:  3.94E+4nMAssay 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(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM30702(ERGOCRISTINE | MLS000069350 | SMR000058447 | cid_3...)
Affinity DataKi:  4.28E+4nMAssay Description:TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in MDR1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30702(ERGOCRISTINE | MLS000069350 | SMR000058447 | cid_3...)
Affinity DataEC50:  12.5nMpH: 7.4 T: 2°CAssay Description:A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay