BDBM22137 aza-peptide Michael acceptor, 5q::benzyl N-[(1S)-1-{[(2S)-1-[(2E)-N-benzyl-3-[N-(carbamoylmethyl)hydrazido]-N-(naphthalen-2-ylmethyl)prop-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(Cc1ccccc1)Cc1ccc2ccccc2c1

InChI Key: InChIKey=LVQOINNOZUXBMS-SVBPBHIXSA-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 = 22137   

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)	BDBM22137 (aza-peptide Michael acceptor, 5q | 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(Cc1ccccc1)Cc1ccc2ccccc2c1 |r,w:28.28| Show InChI InChI=1S/C38H40N6O7/c1-26(41-38(50)51-25-29-13-7-4-8-14-29)36(48)40-27(2)37(49)42-44(24-33(39)45)35(47)20-19-34(46)43(22-28-11-5-3-6-12-28)23-30-17-18-31-15-9-10-16-32(31)21-30/h3-21,26-27H,22-25H2,1-2H3,(H2,39,45)(H,40,48)(H,41,50)(H,42,49)/t26-,27-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	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) (Ixodes ricinus)	BDBM22137 (aza-peptide Michael acceptor, 5q | 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(Cc1ccccc1)Cc1ccc2ccccc2c1 |r,w:28.28| Show InChI InChI=1S/C38H40N6O7/c1-26(41-38(50)51-25-29-13-7-4-8-14-29)36(48)40-27(2)37(49)42-44(24-33(39)45)35(47)20-19-34(46)43(22-28-11-5-3-6-12-28)23-30-17-18-31-15-9-10-16-32(31)21-30/h3-21,26-27H,22-25H2,1-2H3,(H2,39,45)(H,40,48)(H,41,50)(H,42,49)/t26-,27-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	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)	BDBM22137 (aza-peptide Michael acceptor, 5q | 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(Cc1ccccc1)Cc1ccc2ccccc2c1 |r,w:28.28| Show InChI InChI=1S/C38H40N6O7/c1-26(41-38(50)51-25-29-13-7-4-8-14-29)36(48)40-27(2)37(49)42-44(24-33(39)45)35(47)20-19-34(46)43(22-28-11-5-3-6-12-28)23-30-17-18-31-15-9-10-16-32(31)21-30/h3-21,26-27H,22-25H2,1-2H3,(H2,39,45)(H,40,48)(H,41,50)(H,42,49)/t26-,27-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	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