BDBM50032802 2-((E)-2-Benzenesulfonyl-vinylamino)-N-[1-benzyl-2-(3-morpholin-4-yl-ureido)-2-oxo-ethyl]-4-phenyl-butyramide::CHEMBL107818

SMILES: O=C(NN1CCOCC1)NC(=O)C(Cc1ccccc1)NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccccc1

InChI Key: InChIKey=VUZFMNWVAAWERA-UHFFFAOYSA-N

Data: 5 KI

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 5 hits for monomerid = 50032802   

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
Cathepsin S (Homo sapiens (Human))	BDBM50032802 (2-((E)-2-Benzenesulfonyl-vinylamino)-N-[1-benzyl-2...) Show SMILES O=C(NN1CCOCC1)NC(=O)C(Cc1ccccc1)NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccccc1 |w:32.34| Show InChI InChI=1S/C32H37N5O6S/c38-30(28(17-16-25-10-4-1-5-11-25)33-18-23-44(41,42)27-14-8-3-9-15-27)34-29(24-26-12-6-2-7-13-26)31(39)35-32(40)36-37-19-21-43-22-20-37/h1-15,18,28-29H,16-17,19-24H2,(H,34,38)(H2,35,36,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Khepri Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Compound is evaluated for inhibitory potency against cathepsin S				J Med Chem 38: 3193-6 (1995) BindingDB Entry DOI: 10.7270/Q21C1VXJ
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50032802 (2-((E)-2-Benzenesulfonyl-vinylamino)-N-[1-benzyl-2...) Show SMILES O=C(NN1CCOCC1)NC(=O)C(Cc1ccccc1)NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccccc1 |w:32.34| Show InChI InChI=1S/C32H37N5O6S/c38-30(28(17-16-25-10-4-1-5-11-25)33-18-23-44(41,42)27-14-8-3-9-15-27)34-29(24-26-12-6-2-7-13-26)31(39)35-32(40)36-37-19-21-43-22-20-37/h1-15,18,28-29H,16-17,19-24H2,(H,34,38)(H2,35,36,39,40)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Khepri Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Compound is evaluated for inhibitory potency against Cruzaine				J Med Chem 38: 3193-6 (1995) BindingDB Entry DOI: 10.7270/Q21C1VXJ
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50032802 (2-((E)-2-Benzenesulfonyl-vinylamino)-N-[1-benzyl-2...) Show SMILES O=C(NN1CCOCC1)NC(=O)C(Cc1ccccc1)NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccccc1 |w:32.34| Show InChI InChI=1S/C32H37N5O6S/c38-30(28(17-16-25-10-4-1-5-11-25)33-18-23-44(41,42)27-14-8-3-9-15-27)34-29(24-26-12-6-2-7-13-26)31(39)35-32(40)36-37-19-21-43-22-20-37/h1-15,18,28-29H,16-17,19-24H2,(H,34,38)(H2,35,36,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Khepri Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Compound is evaluated for inhibitory potency against cathepsin L				J Med Chem 38: 3193-6 (1995) BindingDB Entry DOI: 10.7270/Q21C1VXJ
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50032802 (2-((E)-2-Benzenesulfonyl-vinylamino)-N-[1-benzyl-2...) Show SMILES O=C(NN1CCOCC1)NC(=O)C(Cc1ccccc1)NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccccc1 |w:32.34| Show InChI InChI=1S/C32H37N5O6S/c38-30(28(17-16-25-10-4-1-5-11-25)33-18-23-44(41,42)27-14-8-3-9-15-27)34-29(24-26-12-6-2-7-13-26)31(39)35-32(40)36-37-19-21-43-22-20-37/h1-15,18,28-29H,16-17,19-24H2,(H,34,38)(H2,35,36,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Khepri Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Compound is evaluated for inhibitory potency against cathepsin B				J Med Chem 38: 3193-6 (1995) BindingDB Entry DOI: 10.7270/Q21C1VXJ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50032802 (2-((E)-2-Benzenesulfonyl-vinylamino)-N-[1-benzyl-2...) Show SMILES O=C(NN1CCOCC1)NC(=O)C(Cc1ccccc1)NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccccc1 |w:32.34| Show InChI InChI=1S/C32H37N5O6S/c38-30(28(17-16-25-10-4-1-5-11-25)33-18-23-44(41,42)27-14-8-3-9-15-27)34-29(24-26-12-6-2-7-13-26)31(39)35-32(40)36-37-19-21-43-22-20-37/h1-15,18,28-29H,16-17,19-24H2,(H,34,38)(H2,35,36,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Khepri Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Compound is evaluated for inhibitory potency against cathepsin O2				J Med Chem 38: 3193-6 (1995) BindingDB Entry DOI: 10.7270/Q21C1VXJ
					More data for this Ligand-Target Pair