BDBM50518594 CHEMBL4445232

SMILES: CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1

InChI Key: InChIKey=SIHSWLYSGZGJPP-UZEWVABRSA-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 = 50518594   

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))	BDBM50518594 (CHEMBL4445232) Show SMILES CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C34H38N6O4S/c1-3-20(2)29(40-34(43)44-19-25-23-13-6-4-11-21(23)22-12-5-7-14-24(22)25)31(42)38-27(16-10-18-37-33(35)36)30(41)32-39-26-15-8-9-17-28(26)45-32/h4-9,11-15,17,20,25,27,29H,3,10,16,18-19H2,1-2H3,(H,38,42)(H,40,43)(H4,35,36,37)/t20-,27-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	228	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/Serine protease hepsin/Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50518594 (CHEMBL4445232) Show SMILES CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C34H38N6O4S/c1-3-20(2)29(40-34(43)44-19-25-23-13-6-4-11-21(23)22-12-5-7-14-24(22)25)31(42)38-27(16-10-18-37-33(35)36)30(41)32-39-26-15-8-9-17-28(26)45-32/h4-9,11-15,17,20,25,27,29H,3,10,16,18-19H2,1-2H3,(H,38,42)(H,40,43)(H4,35,36,37)/t20-,27-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	486	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
Hepatocyte growth factor activator (Homo sapiens (Human))	BDBM50518594 (CHEMBL4445232) Show SMILES CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C34H38N6O4S/c1-3-20(2)29(40-34(43)44-19-25-23-13-6-4-11-21(23)22-12-5-7-14-24(22)25)31(42)38-27(16-10-18-37-33(35)36)30(41)32-39-26-15-8-9-17-28(26)45-32/h4-9,11-15,17,20,25,27,29H,3,10,16,18-19H2,1-2H3,(H,38,42)(H,40,43)(H4,35,36,37)/t20-,27-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30E+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 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