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SMILES: NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(ccc1O)-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=AFMFUQPJPRIOFS-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50187706   
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
Serine protease hepsin


(Homo sapiens (Human))		BDBM50187706
PNG
(CHEMBL3828589)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(ccc1O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H16F3N3O/c23-22(24,25)16-5-1-12(2-6-16)13-4-8-20(29)17(10-13)19-11-15-9-14(21(26)27)3-7-18(15)28-19/h1-11,28-29H,(H3,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.40E+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