BDBM50463148 CHEMBL4247707

SMILES: CCOC(=O)\C=C\C(=O)[C@@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1

InChI Key: InChIKey=DSMGEPBRPIEQKD-ULYWAXSHSA-N

Data: 4 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 4 hits for monomerid = 50463148   

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
Cruzipain (Trypanosoma cruzi)	BDBM50463148 (CHEMBL4247707) Show SMILES CCOC(=O)\C=C\C(=O)[C@@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C29H35N3O6/c1-2-38-27(34)16-15-26(33)24(14-13-22-9-5-3-6-10-22)30-28(35)25(21-23-11-7-4-8-12-23)31-29(36)32-17-19-37-20-18-32/h3-12,15-16,24-25H,2,13-14,17-21H2,1H3,(H,30,35)(H,31,36)/b16-15+/t24-,25+/m1/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				Bioorg Med Chem 26: 4624-4634 (2018) Article DOI: 10.1016/j.bmc.2018.07.015 BindingDB Entry DOI: 10.7270/Q29S1TPM
					More data for this Ligand-Target Pair
Rhodesain (Trypanosoma brucei rhodesiense)	BDBM50463148 (CHEMBL4247707) Show SMILES CCOC(=O)\C=C\C(=O)[C@@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C29H35N3O6/c1-2-38-27(34)16-15-26(33)24(14-13-22-9-5-3-6-10-22)30-28(35)25(21-23-11-7-4-8-12-23)31-29(36)32-17-19-37-20-18-32/h3-12,15-16,24-25H,2,13-14,17-21H2,1H3,(H,30,35)(H,31,36)/b16-15+/t24-,25+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate measured for 30 mins by fluorescence method				Bioorg Med Chem 26: 4624-4634 (2018) Article DOI: 10.1016/j.bmc.2018.07.015 BindingDB Entry DOI: 10.7270/Q29S1TPM
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50463148 (CHEMBL4247707) Show SMILES CCOC(=O)\C=C\C(=O)[C@@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C29H35N3O6/c1-2-38-27(34)16-15-26(33)24(14-13-22-9-5-3-6-10-22)30-28(35)25(21-23-11-7-4-8-12-23)31-29(36)32-17-19-37-20-18-32/h3-12,15-16,24-25H,2,13-14,17-21H2,1H3,(H,30,35)(H,31,36)/b16-15+/t24-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of human cathepsin B using Cbz-Phe-Arg-AMC as substrate				Bioorg Med Chem 26: 4624-4634 (2018) Article DOI: 10.1016/j.bmc.2018.07.015 BindingDB Entry DOI: 10.7270/Q29S1TPM
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50463148 (CHEMBL4247707) Show SMILES CCOC(=O)\C=C\C(=O)[C@@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C29H35N3O6/c1-2-38-27(34)16-15-26(33)24(14-13-22-9-5-3-6-10-22)30-28(35)25(21-23-11-7-4-8-12-23)31-29(36)32-17-19-37-20-18-32/h3-12,15-16,24-25H,2,13-14,17-21H2,1H3,(H,30,35)(H,31,36)/b16-15+/t24-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Cbz-Phe-Arg-AMC as substrate				Bioorg Med Chem 26: 4624-4634 (2018) Article DOI: 10.1016/j.bmc.2018.07.015 BindingDB Entry DOI: 10.7270/Q29S1TPM
					More data for this Ligand-Target Pair