BDBM104934 US8569313, Inhibitor 51

SMILES: COCCOCCC(=O)NCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1

InChI Key: InChIKey=NSNJRHGIWQOAEQ-MHZLTWQESA-N

Data: 1 KI

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 = 104934   

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
Matriptase (Homo sapiens (Human))	BDBM104934 (US8569313, Inhibitor 51) Show SMILES COCCOCCC(=O)NCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1 |r,Sg:n:2,1,4,3::ht| Show InChI InChI=1S/C31H45N7O7S/c1-44-16-17-45-15-11-28(39)35-21-29(40)36-25-6-3-7-26(20-25)46(42,43)37-27(19-23-4-2-5-24(18-23)30(33)34)31(41)38-13-9-22(8-12-32)10-14-38/h2-7,18,20,22,27,37H,8-17,19,21,32H2,1H3,(H3,33,34)(H,35,39)(H,36,40)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description Inhibition assay using matriptase enzyme				US Patent US8569313 (2013) BindingDB Entry DOI: 10.7270/Q2639ND5
					More data for this Ligand-Target Pair