null

SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C

InChI Key InChIKey=VIKNJXKGJWUCNN-XGXHKTLJSA-N

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50148732   

TargetProgesterone receptor(Homo sapiens (Human))
Ligand Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50148732(17-ethynyl-17beta-hydroxyestr-4-en-3-one | 17alpha...)copy SMILEScopy InChI
Affinity DataKi:  1.90nMAssay Description:The binding affinity measured using baculovirus-expressed hPR-A in sf21 cells.More data for this Ligand-Target Pair
TargetProgesterone receptor(Homo sapiens (Human))
Ligand Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50148732(17-ethynyl-17beta-hydroxyestr-4-en-3-one | 17alpha...)copy SMILEScopy InChI
Affinity DataIC50: 3.20nMAssay Description:Binding affinity against Progesterone receptor in human TE85 osteosarcoma cells was determined using (Z)-[125I]-17-alpha-(2-iodovinyl)-19-nor-testost...More data for this Ligand-Target Pair
TargetProgesterone receptor(Homo sapiens (Human))
Ligand Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50148732(17-ethynyl-17beta-hydroxyestr-4-en-3-one | 17alpha...)copy SMILEScopy InChI
Affinity DataEC50:  2.20nMAssay Description:Agonistic activity was measured for modulation of hPR-B (human progesterone receptor) in co-transfected CV-1 cells.More data for this Ligand-Target Pair
TargetBile salt export pump(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50148732(17-ethynyl-17beta-hydroxyestr-4-en-3-one | 17alpha...)copy SMILEScopy InChI
Affinity DataIC50: 1.85E+4nMAssay Description:Ability to inhibit HMG-CoA reductase (HMGR) by cholesterol synthesis inhibition screen (CSI) in ratsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZP488MPubMed
TargetAndrogen receptor(Rattus norvegicus (Rat))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50148732(17-ethynyl-17beta-hydroxyestr-4-en-3-one | 17alpha...)copy SMILEScopy InChI
Affinity DataIC50: 120nMAssay Description:Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TM7CBZPubMed
TargetEstrogen receptor beta(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50148732(17-ethynyl-17beta-hydroxyestr-4-en-3-one | 17alpha...)copy SMILEScopy InChI
Affinity DataKd:  0.630nMAssay Description:Equilibrium dissociation constant for rat uterine estrogen receptor binding [3H]estradiolMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2W95CDMPubMed
TargetBile salt export pump(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50148732(17-ethynyl-17beta-hydroxyestr-4-en-3-one | 17alpha...)copy SMILEScopy InChI
Affinity DataIC50: 4.50E+4nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26Q20JNPubMed
TargetProgesterone receptor(Homo sapiens (Human))
Ligand Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50148732(17-ethynyl-17beta-hydroxyestr-4-en-3-one | 17alpha...)copy SMILEScopy InChI
Affinity DataKd:  0.400nMAssay Description:Dissociation constant for progesterone receptorMore data for this Ligand-Target Pair
TargetSex hormone-binding globulin(Homo sapiens (Human))
University of British Columbia

Curated by ChEMBL
LigandPNGBDBM50148732(17-ethynyl-17beta-hydroxyestr-4-en-3-one | 17alpha...)copy SMILEScopy InChI
Affinity DataKd:  11nMAssay Description:Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulinMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RX9DC2PubMedDrugBank