BDBM50281088 (3S,4R)-1-[(R)-[1,3]Dithian-2-yl-(2,2,2',2'-tetramethyl-[4,4']bi[[1,3]dioxolanyl]-5-yl)-methyl]-3-methoxy-4-((E)-1-methyl-2-phenyl-vinyl)-azetidin-2-one::CHEMBL314222

SMILES: CO[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=NRJKGRSNLQJOFS-AXDJEAGDSA-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 = 50281088   

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
Leukocyte elastase (Homo sapiens (Human))	BDBM50281088 ((3S,4R)-1-[(R)-[1,3]Dithian-2-yl-(2,2,2',2'-tetram...) Show SMILES CO[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/C28H39NO6S2/c1-17(15-18-11-8-7-9-12-18)20-24(31-6)25(30)29(20)21(26-36-13-10-14-37-26)23-22(34-28(4,5)35-23)19-16-32-27(2,3)33-19/h7-9,11-12,15,19-24,26H,10,13-14,16H2,1-6H3/b17-15+/t19?,20-,21-,22?,23?,24+/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	1.80E+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
Pancreatic elastase (Sus scrofa)	BDBM50281088 ((3S,4R)-1-[(R)-[1,3]Dithian-2-yl-(2,2,2',2'-tetram...) Show SMILES CO[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/C28H39NO6S2/c1-17(15-18-11-8-7-9-12-18)20-24(31-6)25(30)29(20)21(26-36-13-10-14-37-26)23-22(34-28(4,5)35-23)19-16-32-27(2,3)33-19/h7-9,11-12,15,19-24,26H,10,13-14,16H2,1-6H3/b17-15+/t19?,20-,21-,22?,23?,24+/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
Elastase 2A (Rattus norvegicus)	BDBM50281088 ((3S,4R)-1-[(R)-[1,3]Dithian-2-yl-(2,2,2',2'-tetram...) Show SMILES CO[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/C28H39NO6S2/c1-17(15-18-11-8-7-9-12-18)20-24(31-6)25(30)29(20)21(26-36-13-10-14-37-26)23-22(34-28(4,5)35-23)19-16-32-27(2,3)33-19/h7-9,11-12,15,19-24,26H,10,13-14,16H2,1-6H3/b17-15+/t19?,20-,21-,22?,23?,24+/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