Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 368.3 BDBM50161452

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

Found 6 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
Caspase-7 (Homo sapiens (Human))	BDBM50161452 (5-Fluoro-3-((S)-3-methyl-2-phenylcarbamoyloxy-buty...) Show SMILES CC(C)[C@H](OC(=O)Nc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF Show InChI InChI=1S/C17H21FN2O6/c1-10(2)15(26-17(25)19-11-6-4-3-5-7-11)16(24)20-12(8-14(22)23)13(21)9-18/h3-7,10,12,15H,8-9H2,1-2H3,(H,19,25)(H,20,24)(H,22,23)/t12?,15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Maxim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against Caspase-7				Bioorg Med Chem Lett 15: 1379-83 (2005) Article DOI: 10.1016/j.bmcl.2005.01.007 BindingDB Entry DOI: 10.7270/Q26H4GX2
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM50161452 (5-Fluoro-3-((S)-3-methyl-2-phenylcarbamoyloxy-buty...) Show SMILES CC(C)[C@H](OC(=O)Nc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF Show InChI InChI=1S/C17H21FN2O6/c1-10(2)15(26-17(25)19-11-6-4-3-5-7-11)16(24)20-12(8-14(22)23)13(21)9-18/h3-7,10,12,15H,8-9H2,1-2H3,(H,19,25)(H,20,24)(H,22,23)/t12?,15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Maxim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against Caspase-8				Bioorg Med Chem Lett 15: 1379-83 (2005) Article DOI: 10.1016/j.bmcl.2005.01.007 BindingDB Entry DOI: 10.7270/Q26H4GX2
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50161452 (5-Fluoro-3-((S)-3-methyl-2-phenylcarbamoyloxy-buty...) Show SMILES CC(C)[C@H](OC(=O)Nc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF Show InChI InChI=1S/C17H21FN2O6/c1-10(2)15(26-17(25)19-11-6-4-3-5-7-11)16(24)20-12(8-14(22)23)13(21)9-18/h3-7,10,12,15H,8-9H2,1-2H3,(H,19,25)(H,20,24)(H,22,23)/t12?,15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Maxim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human caspase-3				Bioorg Med Chem Lett 15: 1379-83 (2005) Article DOI: 10.1016/j.bmcl.2005.01.007 BindingDB Entry DOI: 10.7270/Q26H4GX2
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM50161452 (5-Fluoro-3-((S)-3-methyl-2-phenylcarbamoyloxy-buty...) Show SMILES CC(C)[C@H](OC(=O)Nc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF Show InChI InChI=1S/C17H21FN2O6/c1-10(2)15(26-17(25)19-11-6-4-3-5-7-11)16(24)20-12(8-14(22)23)13(21)9-18/h3-7,10,12,15H,8-9H2,1-2H3,(H,19,25)(H,20,24)(H,22,23)/t12?,15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Maxim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against Caspase-9				Bioorg Med Chem Lett 15: 1379-83 (2005) Article DOI: 10.1016/j.bmcl.2005.01.007 BindingDB Entry DOI: 10.7270/Q26H4GX2
					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (Human))	BDBM50161452 (5-Fluoro-3-((S)-3-methyl-2-phenylcarbamoyloxy-buty...) Show SMILES CC(C)[C@H](OC(=O)Nc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF Show InChI InChI=1S/C17H21FN2O6/c1-10(2)15(26-17(25)19-11-6-4-3-5-7-11)16(24)20-12(8-14(22)23)13(21)9-18/h3-7,10,12,15H,8-9H2,1-2H3,(H,19,25)(H,20,24)(H,22,23)/t12?,15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Maxim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against Caspase-6				Bioorg Med Chem Lett 15: 1379-83 (2005) Article DOI: 10.1016/j.bmcl.2005.01.007 BindingDB Entry DOI: 10.7270/Q26H4GX2
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50161452 (5-Fluoro-3-((S)-3-methyl-2-phenylcarbamoyloxy-buty...) Show SMILES CC(C)[C@H](OC(=O)Nc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF Show InChI InChI=1S/C17H21FN2O6/c1-10(2)15(26-17(25)19-11-6-4-3-5-7-11)16(24)20-12(8-14(22)23)13(21)9-18/h3-7,10,12,15H,8-9H2,1-2H3,(H,19,25)(H,20,24)(H,22,23)/t12?,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Maxim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against Calpain 1				Bioorg Med Chem Lett 15: 1379-83 (2005) Article DOI: 10.1016/j.bmcl.2005.01.007 BindingDB Entry DOI: 10.7270/Q26H4GX2
					More data for this Ligand-Target Pair