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BDBM50187710 CHEMBL3827788

SMILES: CC(C)(C)OC(=O)NCc1ccc(cc1)-c1ccc(O)c(c1)-c1cc2cc(ccc2[nH]1)C(N)=N

InChI Key: InChIKey=XOINAWFLLMMOFY-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50187710   
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))
BDBM50187710
PNG
(CHEMBL3827788)
Show SMILES CC(C)(C)OC(=O)NCc1ccc(cc1)-c1ccc(O)c(c1)-c1cc2cc(ccc2[nH]1)C(N)=N
Show InChI InChI=1S/C27H28N4O3/c1-27(2,3)34-26(33)30-15-16-4-6-17(7-5-16)18-9-11-24(32)21(13-18)23-14-20-12-19(25(28)29)8-10-22(20)31-23/h4-14,31-32H,15H2,1-3H3,(H3,28,29)(H,30,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.10E+4n/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