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BDBM50270011 estradiol disulfate

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

InChI Key: InChIKey=VPLAJGAMHNQZIY-ZBRFXRBCSA-L

Data: 2 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50270011   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Solute carrier family 22 member 6


(Mus musculus)
BDBM50270011
PNG
(estradiol disulfate)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS([O-])(=O)=O)ccc34)[C@@H]1CC[C@@H]2OS([O-])(=O)=O
Show InChI InChI=1S/C18H24O8S2/c1-18-9-8-14-13-5-3-12(25-27(19,20)21)10-11(13)2-4-15(14)16(18)6-7-17(18)26-28(22,23)24/h3,5,10,14-17H,2,4,6-9H2,1H3,(H,19,20,21)(H,22,23,24)/p-2/t14-,15-,16+,17+,18+/m1/s1
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PubMed
2.20E+5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 20


(Mus musculus)
BDBM50270011
PNG
(estradiol disulfate)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS([O-])(=O)=O)ccc34)[C@@H]1CC[C@@H]2OS([O-])(=O)=O
Show InChI InChI=1S/C18H24O8S2/c1-18-9-8-14-13-5-3-12(25-27(19,20)21)10-11(13)2-4-15(14)16(18)6-7-17(18)26-28(22,23)24/h3,5,10,14-17H,2,4,6-9H2,1H3,(H,19,20,21)(H,22,23,24)/p-2/t14-,15-,16+,17+,18+/m1/s1
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PubMed
7.21E+6n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)

More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 4


(Homo sapiens)
BDBM50270011
PNG
(estradiol disulfate)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS([O-])(=O)=O)ccc34)[C@@H]1CC[C@@H]2OS([O-])(=O)=O
Show InChI InChI=1S/C18H24O8S2/c1-18-9-8-14-13-5-3-12(25-27(19,20)21)10-11(13)2-4-15(14)16(18)6-7-17(18)26-28(22,23)24/h3,5,10,14-17H,2,4,6-9H2,1H3,(H,19,20,21)(H,22,23,24)/p-2/t14-,15-,16+,17+,18+/m1/s1
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PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



The Netherlands Cancer Institute

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicles from MRP4-expressing Sf9 cells


Biochem J 371: 361-7 (2003)

More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 4


(Homo sapiens)
BDBM50270011
PNG
(estradiol disulfate)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS([O-])(=O)=O)ccc34)[C@@H]1CC[C@@H]2OS([O-])(=O)=O
Show InChI InChI=1S/C18H24O8S2/c1-18-9-8-14-13-5-3-12(25-27(19,20)21)10-11(13)2-4-15(14)16(18)6-7-17(18)26-28(22,23)24/h3,5,10,14-17H,2,4,6-9H2,1H3,(H,19,20,21)(H,22,23,24)/p-2/t14-,15-,16+,17+,18+/m1/s1
Reactome pathway
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 200n/an/an/an/an/an/a



The Netherlands Cancer Institute

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DHEAS in membrane vesicles from MRP4-expressing Sf9 cells


Biochem J 371: 361-7 (2003)

More data for this
Ligand-Target Pair