BDBM50281087 (3R,4S)-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)-styryl)-azetidin-2-one::CHEMBL313838

SMILES: CO[C@@H]1[C@H](\C=C\c2ccccc2)N([C@H](C2OC(C)(C)OC2C2COC(C)(C)O2)C2SCCCS2)C1=O

InChI Key: InChIKey=LTAXSVOOLNJEMR-OUCPSYQKSA-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 = 50281087   

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
Pancreatic elastase (Sus scrofa)	BDBM50281087 ((3R,4S)-1-[(R)-[1,3]Dithian-2-yl-(2,2,2',2'-tetram...) Show SMILES CO[C@@H]1[C@H](\C=C\c2ccccc2)N([C@H](C2OC(C)(C)OC2C2COC(C)(C)O2)C2SCCCS2)C1=O Show InChI InChI=1S/C27H37NO6S2/c1-26(2)31-16-19(32-26)22-23(34-27(3,4)33-22)20(25-35-14-9-15-36-25)28-18(21(30-5)24(28)29)13-12-17-10-7-6-8-11-17/h6-8,10-13,18-23,25H,9,14-16H2,1-5H3/b13-12+/t18-,19?,20+,21+,22?,23?/m0/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)	BDBM50281087 ((3R,4S)-1-[(R)-[1,3]Dithian-2-yl-(2,2,2',2'-tetram...) Show SMILES CO[C@@H]1[C@H](\C=C\c2ccccc2)N([C@H](C2OC(C)(C)OC2C2COC(C)(C)O2)C2SCCCS2)C1=O Show InChI InChI=1S/C27H37NO6S2/c1-26(2)31-16-19(32-26)22-23(34-27(3,4)33-22)20(25-35-14-9-15-36-25)28-18(21(30-5)24(28)29)13-12-17-10-7-6-8-11-17/h6-8,10-13,18-23,25H,9,14-16H2,1-5H3/b13-12+/t18-,19?,20+,21+,22?,23?/m0/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
Leukocyte elastase (Homo sapiens (Human))	BDBM50281087 ((3R,4S)-1-[(R)-[1,3]Dithian-2-yl-(2,2,2',2'-tetram...) Show SMILES CO[C@@H]1[C@H](\C=C\c2ccccc2)N([C@H](C2OC(C)(C)OC2C2COC(C)(C)O2)C2SCCCS2)C1=O Show InChI InChI=1S/C27H37NO6S2/c1-26(2)31-16-19(32-26)22-23(34-27(3,4)33-22)20(25-35-14-9-15-36-25)28-18(21(30-5)24(28)29)13-12-17-10-7-6-8-11-17/h6-8,10-13,18-23,25H,9,14-16H2,1-5H3/b13-12+/t18-,19?,20+,21+,22?,23?/m0/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	7.60E+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