BDBM50032803 2-((E)-2-Benzenesulfonyl-vinylamino)-N-[3-methyl-1-(3-morpholin-4-yl-ureidocarbonyl)-butyl]-4-phenyl-butyramide::CHEMBL108746

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

InChI Key: InChIKey=TVUDUONIRJXXCP-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 = 50032803   

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))	BDBM50032803 (2-((E)-2-Benzenesulfonyl-vinylamino)-N-[3-methyl-1...) Show SMILES CC(C)CC(NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccccc1)C(=O)NC(=O)NN1CCOCC1 |w:17.17| Show InChI InChI=1S/C29H39N5O6S/c1-22(2)21-26(28(36)32-29(37)33-34-16-18-40-19-17-34)31-27(35)25(14-13-23-9-5-3-6-10-23)30-15-20-41(38,39)24-11-7-4-8-12-24/h3-12,15,22,25-26H,13-14,16-21H2,1-2H3,(H,31,35)(H2,32,33,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.90	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)	BDBM50032803 (2-((E)-2-Benzenesulfonyl-vinylamino)-N-[3-methyl-1...) Show SMILES CC(C)CC(NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccccc1)C(=O)NC(=O)NN1CCOCC1 |w:17.17| Show InChI InChI=1S/C29H39N5O6S/c1-22(2)21-26(28(36)32-29(37)33-34-16-18-40-19-17-34)31-27(35)25(14-13-23-9-5-3-6-10-23)30-15-20-41(38,39)24-11-7-4-8-12-24/h3-12,15,22,25-26H,13-14,16-21H2,1-2H3,(H,31,35)(H2,32,33,36,37)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	220	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
Cathepsin K (Homo sapiens (Human))	BDBM50032803 (2-((E)-2-Benzenesulfonyl-vinylamino)-N-[3-methyl-1...) Show SMILES CC(C)CC(NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccccc1)C(=O)NC(=O)NN1CCOCC1 |w:17.17| Show InChI InChI=1S/C29H39N5O6S/c1-22(2)21-26(28(36)32-29(37)33-34-16-18-40-19-17-34)31-27(35)25(14-13-23-9-5-3-6-10-23)30-15-20-41(38,39)24-11-7-4-8-12-24/h3-12,15,22,25-26H,13-14,16-21H2,1-2H3,(H,31,35)(H2,32,33,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	230	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
Procathepsin L (Homo sapiens (Human))	BDBM50032803 (2-((E)-2-Benzenesulfonyl-vinylamino)-N-[3-methyl-1...) Show SMILES CC(C)CC(NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccccc1)C(=O)NC(=O)NN1CCOCC1 |w:17.17| Show InChI InChI=1S/C29H39N5O6S/c1-22(2)21-26(28(36)32-29(37)33-34-16-18-40-19-17-34)31-27(35)25(14-13-23-9-5-3-6-10-23)30-15-20-41(38,39)24-11-7-4-8-12-24/h3-12,15,22,25-26H,13-14,16-21H2,1-2H3,(H,31,35)(H2,32,33,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	720	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))	BDBM50032803 (2-((E)-2-Benzenesulfonyl-vinylamino)-N-[3-methyl-1...) Show SMILES CC(C)CC(NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccccc1)C(=O)NC(=O)NN1CCOCC1 |w:17.17| Show InChI InChI=1S/C29H39N5O6S/c1-22(2)21-26(28(36)32-29(37)33-34-16-18-40-19-17-34)31-27(35)25(14-13-23-9-5-3-6-10-23)30-15-20-41(38,39)24-11-7-4-8-12-24/h3-12,15,22,25-26H,13-14,16-21H2,1-2H3,(H,31,35)(H2,32,33,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.90E+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