BDBM22145 Biotinylated Michael acceptor, 12::ethyl (2E)-4-[(2S)-2-[(2S)-2-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanamido}propanamido]-N'-(carbamoylmethyl)propanehydrazido]-4-oxobut-2-enoate

SMILES: [H][C@]12CS[C@@H](CCCCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)OCC)[C@@]1([H])NC(=O)N2

InChI Key: InChIKey=RBCZSRXBNSOGEJ-GVZUZGFXSA-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 = 22145   

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)	BDBM22145 (Biotinylated Michael acceptor, 12 | ethyl (2E)-4-[...) Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)OCC)[C@@]1([H])NC(=O)N2 |r,w:29.28| Show InChI InChI=1S/C24H37N7O8S/c1-4-39-20(35)10-9-19(34)31(11-17(25)32)30-23(37)14(3)27-22(36)13(2)26-18(33)8-6-5-7-16-21-15(12-40-16)28-24(38)29-21/h9-10,13-16,21H,4-8,11-12H2,1-3H3,(H2,25,32)(H,26,33)(H,27,36)(H,30,37)(H2,28,29,38)/t13-,14-,15-,16-,21-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	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)	BDBM22145 (Biotinylated Michael acceptor, 12 | ethyl (2E)-4-[...) Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)OCC)[C@@]1([H])NC(=O)N2 |r,w:29.28| Show InChI InChI=1S/C24H37N7O8S/c1-4-39-20(35)10-9-19(34)31(11-17(25)32)30-23(37)14(3)27-22(36)13(2)26-18(33)8-6-5-7-16-21-15(12-40-16)28-24(38)29-21/h9-10,13-16,21H,4-8,11-12H2,1-3H3,(H2,25,32)(H,26,33)(H,27,36)(H,30,37)(H2,28,29,38)/t13-,14-,15-,16-,21-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	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)	BDBM22145 (Biotinylated Michael acceptor, 12 | ethyl (2E)-4-[...) Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)OCC)[C@@]1([H])NC(=O)N2 |r,w:29.28| Show InChI InChI=1S/C24H37N7O8S/c1-4-39-20(35)10-9-19(34)31(11-17(25)32)30-23(37)14(3)27-22(36)13(2)26-18(33)8-6-5-7-16-21-15(12-40-16)28-24(38)29-21/h9-10,13-16,21H,4-8,11-12H2,1-3H3,(H2,25,32)(H,26,33)(H,27,36)(H,30,37)(H2,28,29,38)/t13-,14-,15-,16-,21-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	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