BDBM50463147 CHEMBL4237990

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

InChI Key: InChIKey=DXLLSNZJTDGBRA-VUOWKATKSA-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 = 50463147   

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)	BDBM50463147 (CHEMBL4237990) Show SMILES CCOC(=O)\C=C\C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C22H37N3O6/c1-6-31-20(27)8-7-19(26)17(13-15(2)3)23-21(28)18(14-16(4)5)24-22(29)25-9-11-30-12-10-25/h7-8,15-18H,6,9-14H2,1-5H3,(H,23,28)(H,24,29)/b8-7+/t17-,18-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	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
Cathepsin B (Homo sapiens (Human))	BDBM50463147 (CHEMBL4237990) Show SMILES CCOC(=O)\C=C\C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C22H37N3O6/c1-6-31-20(27)8-7-19(26)17(13-15(2)3)23-21(28)18(14-16(4)5)24-22(29)25-9-11-30-12-10-25/h7-8,15-18H,6,9-14H2,1-5H3,(H,23,28)(H,24,29)/b8-7+/t17-,18-/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	90	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
Rhodesain (Trypanosoma brucei rhodesiense)	BDBM50463147 (CHEMBL4237990) Show SMILES CCOC(=O)\C=C\C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C22H37N3O6/c1-6-31-20(27)8-7-19(26)17(13-15(2)3)23-21(28)18(14-16(4)5)24-22(29)25-9-11-30-12-10-25/h7-8,15-18H,6,9-14H2,1-5H3,(H,23,28)(H,24,29)/b8-7+/t17-,18-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	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
Procathepsin L (Homo sapiens (Human))	BDBM50463147 (CHEMBL4237990) Show SMILES CCOC(=O)\C=C\C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C22H37N3O6/c1-6-31-20(27)8-7-19(26)17(13-15(2)3)23-21(28)18(14-16(4)5)24-22(29)25-9-11-30-12-10-25/h7-8,15-18H,6,9-14H2,1-5H3,(H,23,28)(H,24,29)/b8-7+/t17-,18-/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	90	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