BDBM50518604 CHEMBL4551624

SMILES: NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)c1nc2ccccc2s1

InChI Key: InChIKey=VIPGDRKEADGMFI-NSOVKSMOSA-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 = 50518604   

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))	BDBM50518604 (CHEMBL4551624) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C34H34N8O4S/c35-33(36)38-15-7-13-27(30(43)32-41-26-12-5-6-14-29(26)47-32)40-31(44)28(16-20-17-37-19-39-20)42-34(45)46-18-25-23-10-3-1-8-21(23)22-9-2-4-11-24(22)25/h1-6,8-12,14,17,19,25,27-28H,7,13,15-16,18H2,(H,37,39)(H,40,44)(H,42,45)(H4,35,36,38)/t27-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	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 human N-terminal His6-tagged matriptase catalytic domain expressed in Escherichia coli preincubated for 30 mins followed by...				J Med Chem 62: 480-490 (2019) Article DOI: 10.1021/acs.jmedchem.8b01536
					More data for this Ligand-Target Pair
Hepsin (Homo sapiens (Human))	BDBM50518604 (CHEMBL4551624) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C34H34N8O4S/c35-33(36)38-15-7-13-27(30(43)32-41-26-12-5-6-14-29(26)47-32)40-31(44)28(16-20-17-37-19-39-20)42-34(45)46-18-25-23-10-3-1-8-21(23)22-9-2-4-11-24(22)25/h1-6,8-12,14,17,19,25,27-28H,7,13,15-16,18H2,(H,37,39)(H,40,44)(H,42,45)(H4,35,36,38)/t27-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	226	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 human C-terminal His10-tagged hepsin catalytic domain preincubated for 30 mins followed by Boc-QAR-AMC substrate addition a...				J Med Chem 62: 480-490 (2019) Article DOI: 10.1021/acs.jmedchem.8b01536
					More data for this Ligand-Target Pair
Hepatocyte growth factor activator (Homo sapiens (Human))	BDBM50518604 (CHEMBL4551624) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C34H34N8O4S/c35-33(36)38-15-7-13-27(30(43)32-41-26-12-5-6-14-29(26)47-32)40-31(44)28(16-20-17-37-19-39-20)42-34(45)46-18-25-23-10-3-1-8-21(23)22-9-2-4-11-24(22)25/h1-6,8-12,14,17,19,25,27-28H,7,13,15-16,18H2,(H,37,39)(H,40,44)(H,42,45)(H4,35,36,38)/t27-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.12E+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 HGFA catalytic domain (unknown origin) preincubated for 30 mins followed by Boc-QLR-AMC substrate addition and measured for 1 hr by flu...				J Med Chem 62: 480-490 (2019) Article DOI: 10.1021/acs.jmedchem.8b01536
					More data for this Ligand-Target Pair