BDBM50027065 (5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione::(5'alpha)-5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman::12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergotaman-3',6',18-trione::ERGOTAMINE::Ergotamin

SMILES CN1C[C@@H](C=C2[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=XCGSFFUVFURLIX-VFGNJEKYSA-N

Data  65 KI  3 IC50

PDB links: 6 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50027065   

LigandPNGBDBM50027065((5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)e...)
Affinity DataIC50:  1.70E+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
TargetCholecystokinin receptor type A(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50027065((5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)e...)
Affinity DataIC50:  3.40E+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