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BDBM50282394 CHEMBL4171689

SMILES: Oc1ccc(cc1O)-c1nnc(SCC(=O)Oc2ccccc2)o1

InChI Key: InChIKey=AUGVJIZRKQDGGW-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50282394   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50282394
PNG
(CHEMBL4171689)
Show SMILES Oc1ccc(cc1O)-c1nnc(SCC(=O)Oc2ccccc2)o1
Show InChI InChI=1S/C16H12N2O5S/c19-12-7-6-10(8-13(12)20)15-17-18-16(23-15)24-9-14(21)22-11-4-2-1-3-5-11/h1-8,19-20H,9H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.09E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition constant for human placental Cytochrome P450 19A1


Eur J Med Chem 136: 348-359 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.007
BindingDB Entry DOI: 10.7270/Q2SJ1P4Q
More data for this
Ligand-Target Pair