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BDBM50027686 CHEMBL3344402

SMILES: O=S(OCCCn1ccc2c(\C=C\c3ccccc3)cccc12)c1ccccc1

InChI Key: InChIKey=YUMFOVNZAQXMJR-FOCLMDBBSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50027686   
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
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50027686
PNG
(CHEMBL3344402)
Show SMILES O=S(OCCCn1ccc2c(\C=C\c3ccccc3)cccc12)c1ccccc1
Show InChI InChI=1S/C25H23NO2S/c27-29(23-12-5-2-6-13-23)28-20-8-18-26-19-17-24-22(11-7-14-25(24)26)16-15-21-9-3-1-4-10-21/h1-7,9-17,19H,8,18,20H2/b16-15+
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PC cid
PC sid
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Similars

Article
PubMed
540n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of N-terminally MBP-fused human CYP24A1 by cell-free assay


Eur J Med Chem 87: 39-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50027686
PNG
(CHEMBL3344402)
Show SMILES O=S(OCCCn1ccc2c(\C=C\c3ccccc3)cccc12)c1ccccc1
Show InChI InChI=1S/C25H23NO2S/c27-29(23-12-5-2-6-13-23)28-20-8-18-26-19-17-24-22(11-7-14-25(24)26)16-15-21-9-3-1-4-10-21/h1-7,9-17,19H,8,18,20H2/b16-15+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.60E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of N-terminally MBP-fused human CYP24A1 by cell-free assay


Eur J Med Chem 87: 39-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1
More data for this
Ligand-Target Pair