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BDBM50187707 CHEMBL3827292

SMILES: COc1ccc(cc1)-c1ccc(O)c(c1)-c1cc2cc(ccc2[nH]1)C(N)=N

InChI Key: InChIKey=FTVFVAVHIDZZCM-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50187707   
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
Hepsin


(Homo sapiens (Human))
BDBM50187707
PNG
(CHEMBL3827292)
Show SMILES COc1ccc(cc1)-c1ccc(O)c(c1)-c1cc2cc(ccc2[nH]1)C(N)=N
Show InChI InChI=1S/C22H19N3O2/c1-27-17-6-2-13(3-7-17)14-5-9-21(26)18(11-14)20-12-16-10-15(22(23)24)4-8-19(16)25-20/h2-12,25-26H,1H3,(H3,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 7.30E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hepsin using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay


Eur J Med Chem 118: 208-218 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3HB6
More data for this
Ligand-Target Pair