BDBM50032702 CHEMBL3352840

SMILES: C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1

InChI Key: InChIKey=DXBXFMGUSXIICV-SDADXPQNSA-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 = 50032702   

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
Matriptase (Homo sapiens (Human))	BDBM50032702 (CHEMBL3352840) Show SMILES C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C24H35N9O6S/c1-12(30-22(39)16(8-9-18(26)35)32-21(38)13(25)11-34)20(37)31-15(6-4-10-29-24(27)28)19(36)23-33-14-5-2-3-7-17(14)40-23/h2-3,5,7,12-13,15-16,34H,4,6,8-11,25H2,1H3,(H2,26,35)(H,30,39)(H,31,37)(H,32,38)(H4,27,28,29)/t12-,13-,15-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0920	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
Transmembrane protease serine 6 (Homo sapiens (Human))	BDBM50032702 (CHEMBL3352840) Show SMILES C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C24H35N9O6S/c1-12(30-22(39)16(8-9-18(26)35)32-21(38)13(25)11-34)20(37)31-15(6-4-10-29-24(27)28)19(36)23-33-14-5-2-3-7-17(14)40-23/h2-3,5,7,12-13,15-16,34H,4,6,8-11,25H2,1H3,(H2,26,35)(H,30,39)(H,31,37)(H,32,38)(H4,27,28,29)/t12-,13-,15-,16-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	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