BDBM50069112 CHEMBL3400827

SMILES: CCCCCCNC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1

InChI Key: InChIKey=ALULAPDKQUXDRO-NDEPHWFRSA-N

Data: 3 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 3 hits for monomerid = 50069112   

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))	BDBM50069112 (CHEMBL3400827) Show SMILES CCCCCCNC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C31H40N6O4S/c1-2-3-4-7-15-34-31(39)37-18-16-36(17-19-37)30(38)28(21-23-9-8-12-26(20-23)29(32)33)35-42(40,41)27-14-13-24-10-5-6-11-25(24)22-27/h5-6,8-14,20,22,28,35H,2-4,7,15-19,21H2,1H3,(H3,32,33)(H,34,39)/t28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of hepsin (unknown origin) using Boc-QAR-AMC as substrate after 30 mins prior to substrate addition by fluorescence assay				Bioorg Med Chem 23: 2328-43 (2015) Article DOI: 10.1016/j.bmc.2015.03.072 BindingDB Entry DOI: 10.7270/Q23F4RB4
					More data for this Ligand-Target Pair
Hepatocyte growth factor activator/Serine protease hepsin/Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50069112 (CHEMBL3400827) Show SMILES CCCCCCNC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C31H40N6O4S/c1-2-3-4-7-15-34-31(39)37-18-16-36(17-19-37)30(38)28(21-23-9-8-12-26(20-23)29(32)33)35-42(40,41)27-14-13-24-10-5-6-11-25(24)22-27/h5-6,8-14,20,22,28,35H,2-4,7,15-19,21H2,1H3,(H3,32,33)(H,34,39)/t28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.49E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of matripase (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins prior to substrate addition by fluorescence assay				Bioorg Med Chem 23: 2328-43 (2015) Article DOI: 10.1016/j.bmc.2015.03.072 BindingDB Entry DOI: 10.7270/Q23F4RB4
					More data for this Ligand-Target Pair
Hepatocyte growth factor activator (Homo sapiens (Human))	BDBM50069112 (CHEMBL3400827) Show SMILES CCCCCCNC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C31H40N6O4S/c1-2-3-4-7-15-34-31(39)37-18-16-36(17-19-37)30(38)28(21-23-9-8-12-26(20-23)29(32)33)35-42(40,41)27-14-13-24-10-5-6-11-25(24)22-27/h5-6,8-14,20,22,28,35H,2-4,7,15-19,21H2,1H3,(H3,32,33)(H,34,39)/t28-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells using Boc-QLR-AMC as substrate incu...				Bioorg Med Chem 23: 2328-43 (2015) Article DOI: 10.1016/j.bmc.2015.03.072 BindingDB Entry DOI: 10.7270/Q23F4RB4
					More data for this Ligand-Target Pair