BDBM50281094 (3R,4R)-3-Butyl-1-[(R)-[1,3]dithian-2-yl-(2,2,2',2'-tetramethyl-[4,4']bi[[1,3]dioxolanyl]-5-yl)-methyl]-4-((E)-1-methyl-2-phenyl-vinyl)-azetidin-2-one::CHEMBL82333

SMILES: CCCC[C@@H]1[C@@H](N([C@H](C2OC(C)(C)OC2C2COC(C)(C)O2)C2SCCCS2)C1=O)C(\C)=C\c1ccccc1

InChI Key: InChIKey=GAGJUJQCPHXLRS-FDRDBHTISA-N

Data: 3 IC50

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 3 hits for monomerid = 50281094   

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
Elastase 2A (Rattus norvegicus)	BDBM50281094 ((3R,4R)-3-Butyl-1-[(R)-[1,3]dithian-2-yl-(2,2,2',2...) Show SMILES CCCC[C@@H]1[C@@H](N([C@H](C2OC(C)(C)OC2C2COC(C)(C)O2)C2SCCCS2)C1=O)C(\C)=C\c1ccccc1 Show InChI InChI=1S/C31H45NO5S2/c1-7-8-15-22-24(20(2)18-21-13-10-9-11-14-21)32(28(22)33)25(29-38-16-12-17-39-29)27-26(36-31(5,6)37-27)23-19-34-30(3,4)35-23/h9-11,13-14,18,22-27,29H,7-8,12,15-17,19H2,1-6H3/b20-18+/t22-,23?,24+,25-,26?,27?/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated in vitro for the inhibition of rat leukocyte elastase(RLE); Not Active				Bioorg Med Chem Lett 3: 2547-2552 (1993) Article DOI: 10.1016/S0960-894X(01)80714-9 BindingDB Entry DOI: 10.7270/Q2CV4HNW
					More data for this Ligand-Target Pair
Pancreatic elastase (Sus scrofa)	BDBM50281094 ((3R,4R)-3-Butyl-1-[(R)-[1,3]dithian-2-yl-(2,2,2',2...) Show SMILES CCCC[C@@H]1[C@@H](N([C@H](C2OC(C)(C)OC2C2COC(C)(C)O2)C2SCCCS2)C1=O)C(\C)=C\c1ccccc1 Show InChI InChI=1S/C31H45NO5S2/c1-7-8-15-22-24(20(2)18-21-13-10-9-11-14-21)32(28(22)33)25(29-38-16-12-17-39-29)27-26(36-31(5,6)37-27)23-19-34-30(3,4)35-23/h9-11,13-14,18,22-27,29H,7-8,12,15-17,19H2,1-6H3/b20-18+/t22-,23?,24+,25-,26?,27?/m1/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated in vitro for the inhibition of pancreatitic porcine elastase(PPE); Not Active				Bioorg Med Chem Lett 3: 2547-2552 (1993) Article DOI: 10.1016/S0960-894X(01)80714-9 BindingDB Entry DOI: 10.7270/Q2CV4HNW
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50281094 ((3R,4R)-3-Butyl-1-[(R)-[1,3]dithian-2-yl-(2,2,2',2...) Show SMILES CCCC[C@@H]1[C@@H](N([C@H](C2OC(C)(C)OC2C2COC(C)(C)O2)C2SCCCS2)C1=O)C(\C)=C\c1ccccc1 Show InChI InChI=1S/C31H45NO5S2/c1-7-8-15-22-24(20(2)18-21-13-10-9-11-14-21)32(28(22)33)25(29-38-16-12-17-39-29)27-26(36-31(5,6)37-27)23-19-34-30(3,4)35-23/h9-11,13-14,18,22-27,29H,7-8,12,15-17,19H2,1-6H3/b20-18+/t22-,23?,24+,25-,26?,27?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated in vitro for the inhibition of human leukocyte elastase(HLE)				Bioorg Med Chem Lett 3: 2547-2552 (1993) Article DOI: 10.1016/S0960-894X(01)80714-9 BindingDB Entry DOI: 10.7270/Q2CV4HNW
					More data for this Ligand-Target Pair