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BDBM38034 1,3,5(10)-ESTRATRIEN-3-OL-17-ONE 3-SULFATE POTASSIUM::MLS000028631::SMR000058689::cid_23674502::estrone sulfate::potassium;[(8R,9S,13S,14S)-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfate::potassium;[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfate::potassium;[(8R,9S,13S,14S)-17-keto-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfate

SMILES: C[C@]12CC[C@H]3[C@@H](CCc4cc(OS([O-])(=O)=O)ccc34)[C@@H]1CCC2=O

InChI Key: InChIKey=JKKFKPJIXZFSSB-CBZIJGRNSA-M

Data: 3 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 3 hits for monomerid = 38034   
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
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38034
PNG
(1,3,5(10)-ESTRATRIEN-3-OL-17-ONE 3-SULFATE POTASSI...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS([O-])(=O)=O)ccc34)[C@@H]1CCC2=O
Show InChI InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/p-1/t14-,15-,16+,18+/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.49E+5n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38034
PNG
(1,3,5(10)-ESTRATRIEN-3-OL-17-ONE 3-SULFATE POTASSI...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS([O-])(=O)=O)ccc34)[C@@H]1CCC2=O
Show InChI InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/p-1/t14-,15-,16+,18+/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.49E+5n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38034
PNG
(1,3,5(10)-ESTRATRIEN-3-OL-17-ONE 3-SULFATE POTASSI...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS([O-])(=O)=O)ccc34)[C@@H]1CCC2=O
Show InChI InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/p-1/t14-,15-,16+,18+/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.49E+5n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair