BDBM50032708 CHEMBL3354685

SMILES: CC(C)C[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1

InChI Key: InChIKey=VJPPADPJUXWEMC-MTZHBSBLSA-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 = 50032708   

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))	BDBM50032708 (CHEMBL3354685) Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C41H48N10O4S/c1-23(2)18-28(42)37(53)49-33(19-24-21-46-29-12-5-3-10-26(24)29)39(55)50-34(20-25-22-47-30-13-6-4-11-27(25)30)38(54)48-32(15-9-17-45-41(43)44)36(52)40-51-31-14-7-8-16-35(31)56-40/h3-8,10-14,16,21-23,28,32-34,46-47H,9,15,17-20,42H2,1-2H3,(H,48,54)(H,49,53)(H,50,55)(H4,43,44,45)/t28-,32-,33-,34-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	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 human recombinant matriptase-2 using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis				J Med Chem 57: 10198-204 (2014) Article DOI: 10.1021/jm5015633 BindingDB Entry DOI: 10.7270/Q2DJ5H73
					More data for this Ligand-Target Pair
Hepatocyte growth factor activator/Serine protease hepsin/Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50032708 (CHEMBL3354685) Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C41H48N10O4S/c1-23(2)18-28(42)37(53)49-33(19-24-21-46-29-12-5-3-10-26(24)29)39(55)50-34(20-25-22-47-30-13-6-4-11-27(25)30)38(54)48-32(15-9-17-45-41(43)44)36(52)40-51-31-14-7-8-16-35(31)56-40/h3-8,10-14,16,21-23,28,32-34,46-47H,9,15,17-20,42H2,1-2H3,(H,48,54)(H,49,53)(H,50,55)(H4,43,44,45)/t28-,32-,33-,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.20	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 human recombinant matriptase using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis				J Med Chem 57: 10198-204 (2014) Article DOI: 10.1021/jm5015633 BindingDB Entry DOI: 10.7270/Q2DJ5H73
					More data for this Ligand-Target Pair