BDBM50069110 CHEMBL3402437

SMILES: NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)c2csc3ccccc23)c1

InChI Key: InChIKey=VQWVYUAACJVKFJ-LJAQVGFWSA-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 = 50069110   

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))	BDBM50069110 (CHEMBL3402437) Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)c2csc3ccccc23)c1 |r| Show InChI InChI=1S/C33H31N5O4S2/c34-31(35)25-9-5-6-22(18-25)19-29(36-44(41,42)26-13-12-23-7-1-2-8-24(23)20-26)33(40)38-16-14-37(15-17-38)32(39)28-21-43-30-11-4-3-10-27(28)30/h1-13,18,20-21,29,36H,14-17,19H2,(H3,34,35)/t29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+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))	BDBM50069110 (CHEMBL3402437) Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)c2csc3ccccc23)c1 |r| Show InChI InChI=1S/C33H31N5O4S2/c34-31(35)25-9-5-6-22(18-25)19-29(36-44(41,42)26-13-12-23-7-1-2-8-24(23)20-26)33(40)38-16-14-37(15-17-38)32(39)28-21-43-30-11-4-3-10-27(28)30/h1-13,18,20-21,29,36H,14-17,19H2,(H3,34,35)/t29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.50E+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))	BDBM50069110 (CHEMBL3402437) Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)c2csc3ccccc23)c1 |r| Show InChI InChI=1S/C33H31N5O4S2/c34-31(35)25-9-5-6-22(18-25)19-29(36-44(41,42)26-13-12-23-7-1-2-8-24(23)20-26)33(40)38-16-14-37(15-17-38)32(39)28-21-43-30-11-4-3-10-27(28)30/h1-13,18,20-21,29,36H,14-17,19H2,(H3,34,35)/t29-/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