BDBM50187713 CHEMBL3828730

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

InChI Key: InChIKey=IJOSQTMORKXXMP-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50187713   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Hepsin (Homo sapiens (Human))	BDBM50187713 (CHEMBL3828730) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(ccc1O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H16ClN3O/c22-16-5-1-12(2-6-16)13-4-8-20(26)17(10-13)19-11-15-9-14(21(23)24)3-7-18(15)25-19/h1-11,25-26H,(H3,23,24)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/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