BDBM50518606 CHEMBL4562668

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

InChI Key: InChIKey=GFZNRMYFECIHSP-BVZFJXPGSA-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 = 50518606   

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
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50518606 (CHEMBL4562668) Show SMILES C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C31H32N6O4S/c1-18(35-31(40)41-17-23-21-11-4-2-9-19(21)20-10-3-5-12-22(20)23)28(39)36-25(14-8-16-34-30(32)33)27(38)29-37-24-13-6-7-15-26(24)42-29/h2-7,9-13,15,18,23,25H,8,14,16-17H2,1H3,(H,35,40)(H,36,39)(H4,32,33,34)/t18-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.360	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
Serine protease hepsin (Homo sapiens (Human))	BDBM50518606 (CHEMBL4562668) Show SMILES C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C31H32N6O4S/c1-18(35-31(40)41-17-23-21-11-4-2-9-19(21)20-10-3-5-12-22(20)23)28(39)36-25(14-8-16-34-30(32)33)27(38)29-37-24-13-6-7-15-26(24)42-29/h2-7,9-13,15,18,23,25H,8,14,16-17H2,1H3,(H,35,40)(H,36,39)(H4,32,33,34)/t18-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	240	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))	BDBM50518606 (CHEMBL4562668) Show SMILES C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C31H32N6O4S/c1-18(35-31(40)41-17-23-21-11-4-2-9-19(21)20-10-3-5-12-22(20)23)28(39)36-25(14-8-16-34-30(32)33)27(38)29-37-24-13-6-7-15-26(24)42-29/h2-7,9-13,15,18,23,25H,8,14,16-17H2,1H3,(H,35,40)(H,36,39)(H4,32,33,34)/t18-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.98E+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