BDBM22124 aza-peptide Michael acceptor, 5h::benzyl N-[(1S)-1-{[(2S)-1-[(2E)-3-[N-(carbamoylmethyl)hydrazido]-N-methyl-N-phenylprop-2-enamide]-1-oxopropan-2-yl]carbamoyl}ethyl]carbamate

SMILES: C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(C)c1ccccc1

InChI Key: InChIKey=QGOFLHFGMRQEPS-OALUTQOASA-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 = 22124   

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) (Schistosoma mansoni)	BDBM22124 (aza-peptide Michael acceptor, 5h | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(C)c1ccccc1 |r,w:28.28| Show InChI InChI=1S/C27H32N6O7/c1-18(30-27(39)40-17-20-10-6-4-7-11-20)25(37)29-19(2)26(38)31-33(16-22(28)34)24(36)15-14-23(35)32(3)21-12-8-5-9-13-21/h4-15,18-19H,16-17H2,1-3H3,(H2,28,34)(H,29,37)(H,30,39)(H,31,38)/t18-,19-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	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
Asparaginyl Endopeptidase (AE) (Ixodes ricinus)	BDBM22124 (aza-peptide Michael acceptor, 5h | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(C)c1ccccc1 |r,w:28.28| Show InChI InChI=1S/C27H32N6O7/c1-18(30-27(39)40-17-20-10-6-4-7-11-20)25(37)29-19(2)26(38)31-33(16-22(28)34)24(36)15-14-23(35)32(3)21-12-8-5-9-13-21/h4-15,18-19H,16-17H2,1-3H3,(H2,28,34)(H,29,37)(H,30,39)(H,31,38)/t18-,19-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	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) (Trichomonas vaginalis G3)	BDBM22124 (aza-peptide Michael acceptor, 5h | benzyl N-[(1S)-...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(C)c1ccccc1 |r,w:28.28| Show InChI InChI=1S/C27H32N6O7/c1-18(30-27(39)40-17-20-10-6-4-7-11-20)25(37)29-19(2)26(38)31-33(16-22(28)34)24(36)15-14-23(35)32(3)21-12-8-5-9-13-21/h4-15,18-19H,16-17H2,1-3H3,(H2,28,34)(H,29,37)(H,30,39)(H,31,38)/t18-,19-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	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