BDBM50236923 CHEMBL4085021

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cscn1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1

InChI Key: InChIKey=WHTKMCKEGVQWOA-SYKYGTKKSA-N

Data: 2 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 2 hits for monomerid = 50236923   

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
Transmembrane protease serine 6 (Homo sapiens (Human))	BDBM50236923 (CHEMBL4085021) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cscn1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C37H41N9O6S2/c38-26(16-21-7-11-24(47)12-8-21)33(50)44-29(17-22-9-13-25(48)14-10-22)34(51)45-30(18-23-19-53-20-42-23)35(52)43-28(5-3-15-41-37(39)40)32(49)36-46-27-4-1-2-6-31(27)54-36/h1-2,4,6-14,19-20,26,28-30,47-48H,3,5,15-18,38H2,(H,43,52)(H,44,50)(H,45,51)(H4,39,40,41)/t26-,28-,29-,30-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal V5-His-tagged matriptase-2 expressed in Drosophila S2 cells using Boc-Gln-Ala-ArgAMC as substrate measured...				Eur J Med Chem 129: 110-123 (2017) Article DOI: 10.1016/j.ejmech.2017.02.006 BindingDB Entry DOI: 10.7270/Q2GB269P
					More data for this Ligand-Target Pair
Hepatocyte growth factor activator/Serine protease hepsin/Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50236923 (CHEMBL4085021) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cscn1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C37H41N9O6S2/c38-26(16-21-7-11-24(47)12-8-21)33(50)44-29(17-22-9-13-25(48)14-10-22)34(51)45-30(18-23-19-53-20-42-23)35(52)43-28(5-3-15-41-37(39)40)32(49)36-46-27-4-1-2-6-31(27)54-36/h1-2,4,6-14,19-20,26,28-30,47-48H,3,5,15-18,38H2,(H,43,52)(H,44,50)(H,45,51)(H4,39,40,41)/t26-,28-,29-,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Inhibition of recombinant human matriptase (596 to 855 residues) expressed in Escherichia coli using Boc-Gln-Ala-ArgAMC as substrate measured for 120...				Eur J Med Chem 129: 110-123 (2017) Article DOI: 10.1016/j.ejmech.2017.02.006 BindingDB Entry DOI: 10.7270/Q2GB269P
					More data for this Ligand-Target Pair