BDBM50463154 CHEMBL4251480

SMILES: CCOC(=O)\C=C\C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

InChI Key: InChIKey=FYNZPHYKPPZBFB-MSTCJZGASA-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 = 50463154   

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
Procathepsin L (Homo sapiens (Human))	BDBM50463154 (CHEMBL4251480) Show SMILES CCOC(=O)\C=C\C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C32H34N2O6/c1-2-39-30(36)21-20-29(35)27(19-18-24-12-6-3-7-13-24)33-31(37)28(22-25-14-8-4-9-15-25)34-32(38)40-23-26-16-10-5-11-17-26/h3-17,20-21,27-28H,2,18-19,22-23H2,1H3,(H,33,37)(H,34,38)/b21-20+/t27-,28-/m0/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	50	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
Cathepsin B (Homo sapiens (Human))	BDBM50463154 (CHEMBL4251480) Show SMILES CCOC(=O)\C=C\C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C32H34N2O6/c1-2-39-30(36)21-20-29(35)27(19-18-24-12-6-3-7-13-24)33-31(37)28(22-25-14-8-4-9-15-25)34-32(38)40-23-26-16-10-5-11-17-26/h3-17,20-21,27-28H,2,18-19,22-23H2,1H3,(H,33,37)(H,34,38)/b21-20+/t27-,28-/m0/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	70	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
Cysteine protease falcipain-2 (Plasmodium falciparum)	BDBM50463154 (CHEMBL4251480) Show SMILES CCOC(=O)\C=C\C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C32H34N2O6/c1-2-39-30(36)21-20-29(35)27(19-18-24-12-6-3-7-13-24)33-31(37)28(22-25-14-8-4-9-15-25)34-32(38)40-23-26-16-10-5-11-17-26/h3-17,20-21,27-28H,2,18-19,22-23H2,1H3,(H,33,37)(H,34,38)/b21-20+/t27-,28-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2 using Cbz-Phe-Arg-AMC as substrate measured for 15 mins by spectrofluorimetric 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
Rhodesain (Trypanosoma brucei rhodesiense)	BDBM50463154 (CHEMBL4251480) Show SMILES CCOC(=O)\C=C\C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C32H34N2O6/c1-2-39-30(36)21-20-29(35)27(19-18-24-12-6-3-7-13-24)33-31(37)28(22-25-14-8-4-9-15-25)34-32(38)40-23-26-16-10-5-11-17-26/h3-17,20-21,27-28H,2,18-19,22-23H2,1H3,(H,33,37)(H,34,38)/b21-20+/t27-,28-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	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