BDBM50069116 CHEMBL3403530

SMILES: Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC[C@@H](C1)NC(=O)OCc1ccccc1

InChI Key: InChIKey=FDMCELUWEUVTNC-BDYUSTAISA-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 = 50069116   

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))	BDBM50069116 (CHEMBL3403530) Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC[C@@H](C1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C30H35N5O5S/c1-21-12-14-26(15-13-21)41(38,39)34-27(18-23-9-5-10-24(17-23)28(31)32)29(36)35-16-6-11-25(19-35)33-30(37)40-20-22-7-3-2-4-8-22/h2-5,7-10,12-15,17,25,27,34H,6,11,16,18-20H2,1H3,(H3,31,32)(H,33,37)/t25-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 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
Hepsin (Homo sapiens (Human))	BDBM50069116 (CHEMBL3403530) Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC[C@@H](C1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C30H35N5O5S/c1-21-12-14-26(15-13-21)41(38,39)34-27(18-23-9-5-10-24(17-23)28(31)32)29(36)35-16-6-11-25(19-35)33-30(37)40-20-22-7-3-2-4-8-22/h2-5,7-10,12-15,17,25,27,34H,6,11,16,18-20H2,1H3,(H3,31,32)(H,33,37)/t25-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+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 (Homo sapiens (Human))	BDBM50069116 (CHEMBL3403530) Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC[C@@H](C1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C30H35N5O5S/c1-21-12-14-26(15-13-21)41(38,39)34-27(18-23-9-5-10-24(17-23)28(31)32)29(36)35-16-6-11-25(19-35)33-30(37)40-20-22-7-3-2-4-8-22/h2-5,7-10,12-15,17,25,27,34H,6,11,16,18-20H2,1H3,(H3,31,32)(H,33,37)/t25-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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