BDBM50394301 CHEMBL2159386

SMILES: COc1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc(cc2)C(N)=N)cc1OC

InChI Key: InChIKey=QEIYSZMXNVJWBM-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50394301   

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
Transmembrane protease serine 6 (Homo sapiens (Human))	BDBM50394301 (CHEMBL2159386) Show SMILES COc1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc(cc2)C(N)=N)cc1OC Show InChI InChI=1S/C20H26N4O5S/c1-28-17-10-5-14(12-18(17)29-2)13-23-19(25)4-3-11-24-30(26,27)16-8-6-15(7-9-16)20(21)22/h5-10,12,24H,3-4,11,13H2,1-2H3,(H3,21,22)(H,23,25)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human matriptase-2 expressed in HEK-MT2 cells using fluorogenic Boc- Gln-Ala-Arg-NH-Mec as substrate measured over 400 secs by spectrop...				Bioorg Med Chem 20: 6489-505 (2012) Article DOI: 10.1016/j.bmc.2012.08.042 BindingDB Entry DOI: 10.7270/Q2SB46VD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50394301 (CHEMBL2159386) Show SMILES COc1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc(cc2)C(N)=N)cc1OC Show InChI InChI=1S/C20H26N4O5S/c1-28-17-10-5-14(12-18(17)29-2)13-23-19(25)4-3-11-24-30(26,27)16-8-6-15(7-9-16)20(21)22/h5-10,12,24H,3-4,11,13H2,1-2H3,(H3,21,22)(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human thrombin using fluorogenic Cbz-Gly-Gly-Arg-NH-Mec as substrate measured over 400 secs by spectrophotometry				Bioorg Med Chem 20: 6489-505 (2012) Article DOI: 10.1016/j.bmc.2012.08.042 BindingDB Entry DOI: 10.7270/Q2SB46VD
					More data for this Ligand-Target Pair