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BDBM50151141 2-Adamantan-1-yl-6-hydroxymethyl-chromen-4-one::CHEMBL364624

SMILES: OCc1ccc2oc(cc(=O)c2c1)C12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=JACCBKMEQHRQTB-UHFFFAOYSA-N

Data: 1 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 3 hits for monomerid = 50151141   
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
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50151141
PNG
(2-Adamantan-1-yl-6-hydroxymethyl-chromen-4-one | C...)
Show SMILES OCc1ccc2oc(cc(=O)c2c1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C20H22O3/c21-11-12-1-2-18-16(6-12)17(22)7-19(23-18)20-8-13-3-14(9-20)5-15(4-13)10-20/h1-2,6-7,13-15,21H,3-5,8-11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.20E+4n/an/an/an/an/an/an/an/a



Novartis Institute for Biomedical Research Vienna

Curated by ChEMBL


Assay Description
Inhibitory activity against human steroid sulfatase


J Med Chem 47: 4268-76 (2004)


Article DOI: 10.1021/jm0407916
BindingDB Entry DOI: 10.7270/Q2XW4KK4
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50151141
PNG
(2-Adamantan-1-yl-6-hydroxymethyl-chromen-4-one | C...)
Show SMILES OCc1ccc2oc(cc(=O)c2c1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C20H22O3/c21-11-12-1-2-18-16(6-12)17(22)7-19(23-18)20-8-13-3-14(9-20)5-15(4-13)10-20/h1-2,6-7,13-15,21H,3-5,8-11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>530n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human estrone sulfatase using 4-methylumbelliferyl sulfate as substrate by colorimetric assay


Eur J Med Chem 114: 170-90 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.054
BindingDB Entry DOI: 10.7270/Q26Q2048
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50151141
PNG
(2-Adamantan-1-yl-6-hydroxymethyl-chromen-4-one | C...)
Show SMILES OCc1ccc2oc(cc(=O)c2c1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C20H22O3/c21-11-12-1-2-18-16(6-12)17(22)7-19(23-18)20-8-13-3-14(9-20)5-15(4-13)10-20/h1-2,6-7,13-15,21H,3-5,8-11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>180n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human estrone sulfatase expressed in CHO cells using 4-methylumbelliferyl sulfate as substrate by fluorimetric assay


Eur J Med Chem 114: 170-90 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.054
BindingDB Entry DOI: 10.7270/Q26Q2048
More data for this
Ligand-Target Pair