BDBM22132 aza-peptide Michael acceptor, 7d::benzyl N-[(1S)-1-{[(1S)-1-[N'-(carbamoylmethyl)-N'-(2E,4E)-hexa-2,4-dienoylhydrazinecarbonyl]ethyl]carbamoyl}ethyl]carbamate

SMILES: CC=CC=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1

InChI Key: InChIKey=IBHXDCRRJDSCPJ-HOTGVXAUSA-N

Data: 1 IC50  1 Other

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 2 hits for monomerid = 22132   

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
Asparaginyl Endopeptidase (AE) (Trichomonas vaginalis G3)	BDBM22132 (aza-peptide Michael acceptor, 7d | benzyl N-[(1S)-...) Show SMILES CC=CC=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 |r,w:4.4,1.0| Show InChI InChI=1S/C22H29N5O6/c1-4-5-7-12-19(29)27(13-18(23)28)26-21(31)16(3)24-20(30)15(2)25-22(32)33-14-17-10-8-6-9-11-17/h4-12,15-16H,13-14H2,1-3H3,(H2,23,28)(H,24,30)(H,25,32)(H,26,31)/t15-,16-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	25
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair
Asparaginyl Endopeptidase (AE) (Schistosoma mansoni)	BDBM22132 (aza-peptide Michael acceptor, 7d | benzyl N-[(1S)-...) Show SMILES CC=CC=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 |r,w:4.4,1.0| Show InChI InChI=1S/C22H29N5O6/c1-4-5-7-12-19(29)27(13-18(23)28)26-21(31)16(3)24-20(30)15(2)25-22(32)33-14-17-10-8-6-9-11-17/h4-12,15-16H,13-14H2,1-3H3,(H2,23,28)(H,24,30)(H,25,32)(H,26,31)/t15-,16-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	6.8	22
Georgia Institute of Technology					Assay Description AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...				J Med Chem 51: 2816-32 (2008) Article DOI: 10.1021/jm701311r BindingDB Entry DOI: 10.7270/Q2KK9937
					More data for this Ligand-Target Pair