Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 342.3 BDBM50536834

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 19 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Calpain-1/Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM50536834 (CHEMBL4590201) Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H19FN2O3/c20-12-16(23)13-21-19(25)17(11-14-7-3-1-4-8-14)22-18(24)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,21,25)(H,22,24)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development Curated by ChEMBL					Assay Description Inhibition of calpain (unknown origin) using calpain substrate preincubated for 20 mins followed by substrate addition by fluorescence plate reader a...				ACS Med Chem Lett 7: 802-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00208 BindingDB Entry DOI: 10.7270/Q2QF8XCR
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50536834 (CHEMBL4590201) Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H19FN2O3/c20-12-16(23)13-21-19(25)17(11-14-7-3-1-4-8-14)22-18(24)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,21,25)(H,22,24)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin B (332 residues) expressed in CHO cells using Z-FR-AMC as substrate preincubated for 20 mins followed by su...				ACS Med Chem Lett 7: 802-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00208 BindingDB Entry DOI: 10.7270/Q2QF8XCR
					More data for this Ligand-Target Pair
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM50536834 (CHEMBL4590201) Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H19FN2O3/c20-12-16(23)13-21-19(25)17(11-14-7-3-1-4-8-14)22-18(24)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,21,25)(H,22,24)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development Curated by ChEMBL					Assay Description Inhibition of ATG4B (unknown origin) using His-GATE-16-GST as substrate preincubated for 30 mins followed by substrate addition measured after 30 min...				ACS Med Chem Lett 7: 802-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00208 BindingDB Entry DOI: 10.7270/Q2QF8XCR
					More data for this Ligand-Target Pair
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM50536834 (CHEMBL4590201) Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H19FN2O3/c20-12-16(23)13-21-19(25)17(11-14-7-3-1-4-8-14)22-18(24)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,21,25)(H,22,24)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development Curated by ChEMBL					Assay Description Inhibition of ATG4B (unknown origin) expressed in HEK293T cells coexpressing HTRA4 and Actin-LC3B-dNGLuc after 24 hrs by luciferase release assay				ACS Med Chem Lett 7: 802-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00208 BindingDB Entry DOI: 10.7270/Q2QF8XCR
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50536834 (CHEMBL4590201) Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H19FN2O3/c20-12-16(23)13-21-19(25)17(11-14-7-3-1-4-8-14)22-18(24)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,21,25)(H,22,24)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development Curated by ChEMBL					Assay Description Inhibition of tryptase beta2 (unknown origin) using Z-GPR-AMC as substrate preincubated for 20 mins followed by substrate addition by fluorescence pl...				ACS Med Chem Lett 7: 802-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00208 BindingDB Entry DOI: 10.7270/Q2QF8XCR
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50536834 (CHEMBL4590201) Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H19FN2O3/c20-12-16(23)13-21-19(25)17(11-14-7-3-1-4-8-14)22-18(24)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,21,25)(H,22,24)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development Curated by ChEMBL					Assay Description Inhibition of caspase7 (unknown origin) using Ac-LEHD-AMC as substrate preincubated for 20 mins followed by substrate addition by fluorescence plate ...				ACS Med Chem Lett 7: 802-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00208 BindingDB Entry DOI: 10.7270/Q2QF8XCR
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50536834 (CHEMBL4590201) Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H19FN2O3/c20-12-16(23)13-21-19(25)17(11-14-7-3-1-4-8-14)22-18(24)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,21,25)(H,22,24)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development Curated by ChEMBL					Assay Description Inhibition of MMP3 (unknown origin) using Mca-PLGL-Dpa-AR as substrate preincubated for 20 mins followed by substrate addition by fluorescence plate ...				ACS Med Chem Lett 7: 802-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00208 BindingDB Entry DOI: 10.7270/Q2QF8XCR
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50536834 (CHEMBL4590201) Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H19FN2O3/c20-12-16(23)13-21-19(25)17(11-14-7-3-1-4-8-14)22-18(24)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,21,25)(H,22,24)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development Curated by ChEMBL					Assay Description Inhibition of caspase2 (unknown origin) using ICH-1 as substrate preincubated for 20 mins followed by substrate addition by fluorescence plate reader...				ACS Med Chem Lett 7: 802-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00208 BindingDB Entry DOI: 10.7270/Q2QF8XCR
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50536834 (CHEMBL4590201) Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H19FN2O3/c20-12-16(23)13-21-19(25)17(11-14-7-3-1-4-8-14)22-18(24)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,21,25)(H,22,24)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin D (400 residues) expressed in CHO cells using 5-FAM/QXL 520 FRET peptide as substrate preincubated for 20 m...				ACS Med Chem Lett 7: 802-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00208 BindingDB Entry DOI: 10.7270/Q2QF8XCR
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50536834 (CHEMBL4590201) Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H19FN2O3/c20-12-16(23)13-21-19(25)17(11-14-7-3-1-4-8-14)22-18(24)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,21,25)(H,22,24)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development Curated by ChEMBL					Assay Description Inhibition of neutrophil elastase (unknown origin) using MeOSu-AAPV-AMC as substrate preincubated for 20 mins followed by substrate addition by fluor...				ACS Med Chem Lett 7: 802-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00208 BindingDB Entry DOI: 10.7270/Q2QF8XCR
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM50536834 (CHEMBL4590201) Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H19FN2O3/c20-12-16(23)13-21-19(25)17(11-14-7-3-1-4-8-14)22-18(24)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,21,25)(H,22,24)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development Curated by ChEMBL					Assay Description Inhibition of caspase8 (unknown origin) using Ac-LEHD-AMC as substrate preincubated for 20 mins followed by substrate addition by fluorescence plate ...				ACS Med Chem Lett 7: 802-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00208 BindingDB Entry DOI: 10.7270/Q2QF8XCR
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM50536834 (CHEMBL4590201) Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H19FN2O3/c20-12-16(23)13-21-19(25)17(11-14-7-3-1-4-8-14)22-18(24)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,21,25)(H,22,24)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development Curated by ChEMBL					Assay Description Inhibition of caspase9 (unknown origin) using Ac-LEHD-AMC as substrate preincubated for 20 mins followed by substrate addition by fluorescence plate ...				ACS Med Chem Lett 7: 802-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00208 BindingDB Entry DOI: 10.7270/Q2QF8XCR
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50536834 (CHEMBL4590201) Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H19FN2O3/c20-12-16(23)13-21-19(25)17(11-14-7-3-1-4-8-14)22-18(24)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,21,25)(H,22,24)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development Curated by ChEMBL					Assay Description Inhibition of ECE1 (unknown origin) using Mca-RPPGFSAFK (Dnp) as substrate preincubated for 20 mins followed by substrate addition by fluorescence pl...				ACS Med Chem Lett 7: 802-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00208 BindingDB Entry DOI: 10.7270/Q2QF8XCR
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50536834 (CHEMBL4590201) Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H19FN2O3/c20-12-16(23)13-21-19(25)17(11-14-7-3-1-4-8-14)22-18(24)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,21,25)(H,22,24)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development Curated by ChEMBL					Assay Description Inhibition of MMP1 (unknown origin) using Mca-PLGL-Dpa-AR as substrate preincubated for 20 mins followed by substrate addition by fluorescence plate ...				ACS Med Chem Lett 7: 802-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00208 BindingDB Entry DOI: 10.7270/Q2QF8XCR
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50536834 (CHEMBL4590201) Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H19FN2O3/c20-12-16(23)13-21-19(25)17(11-14-7-3-1-4-8-14)22-18(24)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,21,25)(H,22,24)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development Curated by ChEMBL					Assay Description Inhibition of caspase3 (unknown origin) using Ac-DMQD-AMC as substrate preincubated for 20 mins followed by substrate addition by fluorescence plate ...				ACS Med Chem Lett 7: 802-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00208 BindingDB Entry DOI: 10.7270/Q2QF8XCR
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50536834 (CHEMBL4590201) Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H19FN2O3/c20-12-16(23)13-21-19(25)17(11-14-7-3-1-4-8-14)22-18(24)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,21,25)(H,22,24)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development Curated by ChEMBL					Assay Description Inhibition of cathepsin G (unknown origin) using Suc-AAPF-pNA as substrate preincubated for 20 mins followed by substrate addition by fluorescence pl...				ACS Med Chem Lett 7: 802-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00208 BindingDB Entry DOI: 10.7270/Q2QF8XCR
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50536834 (CHEMBL4590201) Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H19FN2O3/c20-12-16(23)13-21-19(25)17(11-14-7-3-1-4-8-14)22-18(24)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,21,25)(H,22,24)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development Curated by ChEMBL					Assay Description Inhibition of ACE (unknown origin) using Mca-RPPGFSAFK (Dnp) as substrate preincubated for 20 mins followed by substrate addition by fluorescence pla...				ACS Med Chem Lett 7: 802-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00208 BindingDB Entry DOI: 10.7270/Q2QF8XCR
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50536834 (CHEMBL4590201) Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H19FN2O3/c20-12-16(23)13-21-19(25)17(11-14-7-3-1-4-8-14)22-18(24)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,21,25)(H,22,24)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development Curated by ChEMBL					Assay Description Inhibition of MMP9 (unknown origin) using Mca-PLGL-Dpa-AR as substrate preincubated for 20 mins followed by substrate addition by fluorescence plate ...				ACS Med Chem Lett 7: 802-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00208 BindingDB Entry DOI: 10.7270/Q2QF8XCR
					More data for this Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436 (Homo sapiens (Human))	BDBM50536834 (CHEMBL4590201) Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H19FN2O3/c20-12-16(23)13-21-19(25)17(11-14-7-3-1-4-8-14)22-18(24)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,21,25)(H,22,24)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development Curated by ChEMBL					Assay Description Inhibition of 20S proteasome (unknown origin) using suc-LLVY-AMC as substrate preincubated for 20 mins followed by substrate addition by fluorescence...				ACS Med Chem Lett 7: 802-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00208 BindingDB Entry DOI: 10.7270/Q2QF8XCR
					More data for this Ligand-Target Pair