BDBM104917 US8569313, Inhibitor 31

SMILES: CNC(=O)CCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)N1CCNCC1=O

InChI Key: InChIKey=IHORCWMVOVZDHZ-SANMLTNESA-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 = 104917   

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
Hepatocyte growth factor activator/Serine protease hepsin/Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM104917 (US8569313, Inhibitor 31) Show SMILES CNC(=O)CCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)N1CCNCC1=O |r| Show InChI InChI=1S/C30H41N7O5S/c1-33-27(38)10-3-5-21-11-14-36(15-12-21)30(40)26(18-22-6-2-7-23(17-22)29(31)32)35-43(41,42)25-9-4-8-24(19-25)37-16-13-34-20-28(37)39/h2,4,6-9,17,19,21,26,34-35H,3,5,10-16,18,20H2,1H3,(H3,31,32)(H,33,38)/t26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	24	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