BDBM50410506 ESTRIOL

SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O

InChI Key InChIKey=PROQIPRRNZUXQM-ZXXIGWHRSA-N

Data  2 KI  3 IC50  1 Kd

PDB links: 2 PDB IDs match this monomer.

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 6 hits for monomerid = 50410506   

TargetSolute carrier organic anion transporter family member 1A1(Rattus norvegicus)
Albert Einstein College of Medicine

Curated by ChEMBL
LigandPNGBDBM50410506(ESTRIOL)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O
Show InChI InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
Affinity DataKi:  9.80E+3nMAssay Description:TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing HeLa cellsMore data for this Ligand-Target Pair
TargetCorticosteroid-binding globulin(Homo sapiens)
Nippon Zoki Pharmaceutical Company Ltd.

Curated by ChEMBL
LigandPNGBDBM50410506(ESTRIOL)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O
Show InChI InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
Affinity DataKi:  1.00E+4nMAssay Description:Binding affinity to human CBG receptor (corticosteroid-binding globulins)More data for this Ligand-Target Pair
TargetBile salt export pump(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50410506(ESTRIOL)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O
Show InChI InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibition of [3H]N-propylnorapomorphine binding to Dopamine receptor D2 of rat striatal membranesMore data for this Ligand-Target Pair
TargetAlpha-synuclein(Homo sapiens (Human))
Universit£ degli Studi di Catania

Curated by ChEMBL
LigandPNGBDBM50410506(ESTRIOL)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O
Show InChI InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
Affinity DataIC50: 2.01E+4nMAssay Description:Inhibition of alpha-synuclein aggregation (unknown origin) incubated for 8 days by thioflavin S based fluorescence assayMore data for this Ligand-Target Pair
TargetSex hormone-binding globulin(Homo sapiens (Human))
University of British Columbia

Curated by ChEMBL
LigandPNGBDBM50410506(ESTRIOL)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O
Show InChI InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
Affinity DataKd:  234nMAssay Description:Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulinMore data for this Ligand-Target Pair
TargetAndrogen receptor(Rattus norvegicus (Rat))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50410506(ESTRIOL)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O
Show InChI InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
Affinity DataIC50: 4.37E+5nMAssay Description:Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)More data for this Ligand-Target Pair