BDBM22126 aza-peptide Michael acceptor, 5j::benzyl N-[(1S)-1-{[(2S)-1-[(2E)-3-[N-(carbamoylmethyl)hydrazido]-N-methyl-N-(naphthalen-1-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(C)Cc1cccc2ccccc12

InChI Key: InChIKey=QCRACLGIKQYURX-VXKWHMMOSA-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 = 22126   

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)	BDBM22126 (aza-peptide Michael acceptor, 5j | 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)Cc1cccc2ccccc12 |r,w:28.28| Show InChI InChI=1S/C32H36N6O7/c1-21(35-32(44)45-20-23-10-5-4-6-11-23)30(42)34-22(2)31(43)36-38(19-27(33)39)29(41)17-16-28(40)37(3)18-25-14-9-13-24-12-7-8-15-26(24)25/h4-17,21-22H,18-20H2,1-3H3,(H2,33,39)(H,34,42)(H,35,44)(H,36,43)/t21-,22-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	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)	BDBM22126 (aza-peptide Michael acceptor, 5j | 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)Cc1cccc2ccccc12 |r,w:28.28| Show InChI InChI=1S/C32H36N6O7/c1-21(35-32(44)45-20-23-10-5-4-6-11-23)30(42)34-22(2)31(43)36-38(19-27(33)39)29(41)17-16-28(40)37(3)18-25-14-9-13-24-12-7-8-15-26(24)25/h4-17,21-22H,18-20H2,1-3H3,(H2,33,39)(H,34,42)(H,35,44)(H,36,43)/t21-,22-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	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)	BDBM22126 (aza-peptide Michael acceptor, 5j | 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)Cc1cccc2ccccc12 |r,w:28.28| Show InChI InChI=1S/C32H36N6O7/c1-21(35-32(44)45-20-23-10-5-4-6-11-23)30(42)34-22(2)31(43)36-38(19-27(33)39)29(41)17-16-28(40)37(3)18-25-14-9-13-24-12-7-8-15-26(24)25/h4-17,21-22H,18-20H2,1-3H3,(H2,33,39)(H,34,42)(H,35,44)(H,36,43)/t21-,22-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	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