BDBM50269859 2,2,2-trifluoroacetate; 5-(2-azaniumyl-2-{[(1S,2S)-1-cyano-2-phenylcyclopropyl]carbamoyl}ethyl)-1,3-thiazol-3-ium

SMILES: [NH3+]C(Cc1c[nH+]cs1)C(=O)N[C@]1(C[C@H]1c1ccccc1)C#N

InChI Key: InChIKey=ZDIWELBONJHKGV-XWDNMSNZSA-P

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 = 50269859   

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
Neutrophil elastase (Mus musculus)	BDBM50269859 (2,2,2-trifluoroacetate; 5-(2-azaniumyl-2-{[(1S,2S)...) Show SMILES [NH3+]C(Cc1c[nH+]cs1)C(=O)N[C@]1(C[C@H]1c1ccccc1)C#N |r| Show InChI InChI=1S/C16H16N4OS/c17-9-16(7-13(16)11-4-2-1-3-5-11)20-15(21)14(18)6-12-8-19-10-22-12/h1-5,8,10,13-14H,6-7,18H2,(H,20,21)/p+2/t13-,14?,16+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of neutrophil elastase activation in beta-estradiol differentiated mouse EcoM-G cells after 24 hrs				J Biol Chem 282: 20836-46 (2007) Article DOI: 10.1074/jbc.M702615200 BindingDB Entry DOI: 10.7270/Q2125TJM
					More data for this Ligand-Target Pair
Dipeptidyl peptidase I (Homo sapiens (Human))	BDBM50269859 (2,2,2-trifluoroacetate; 5-(2-azaniumyl-2-{[(1S,2S)...) Show SMILES [NH3+]C(Cc1c[nH+]cs1)C(=O)N[C@]1(C[C@H]1c1ccccc1)C#N |r| Show InChI InChI=1S/C16H16N4OS/c17-9-16(7-13(16)11-4-2-1-3-5-11)20-15(21)14(18)6-12-8-19-10-22-12/h1-5,8,10,13-14H,6-7,18H2,(H,20,21)/p+2/t13-,14?,16+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin C after 10 mins				J Biol Chem 282: 20836-46 (2007) Article DOI: 10.1074/jbc.M702615200 BindingDB Entry DOI: 10.7270/Q2125TJM
					More data for this Ligand-Target Pair
Cathepsin G (Mus musculus)	BDBM50269859 (2,2,2-trifluoroacetate; 5-(2-azaniumyl-2-{[(1S,2S)...) Show SMILES [NH3+]C(Cc1c[nH+]cs1)C(=O)N[C@]1(C[C@H]1c1ccccc1)C#N |r| Show InChI InChI=1S/C16H16N4OS/c17-9-16(7-13(16)11-4-2-1-3-5-11)20-15(21)14(18)6-12-8-19-10-22-12/h1-5,8,10,13-14H,6-7,18H2,(H,20,21)/p+2/t13-,14?,16+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of cathepsin G activation in beta-estradiol differentiated mouse EcoM-G cells after 24 hrs				J Biol Chem 282: 20836-46 (2007) Article DOI: 10.1074/jbc.M702615200 BindingDB Entry DOI: 10.7270/Q2125TJM
					More data for this Ligand-Target Pair