BDBM50053811 CHEMBL338957::Morpholine-4-carboxylic acid [1-(1-ethylaminooxalyl-propylcarbamoyl)-3-methyl-butyl]-amide

SMILES: CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)N1CCOCC1

InChI Key: InChIKey=FLFBCKMXGDATMM-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50053811   

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 B (Bos taurus (bovine))	BDBM50053811 (CHEMBL338957 | Morpholine-4-carboxylic acid [1-(1-...) Show SMILES CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)N1CCOCC1 Show InChI InChI=1S/C18H32N4O5/c1-5-13(15(23)17(25)19-6-2)20-16(24)14(11-12(3)4)21-18(26)22-7-9-27-10-8-22/h12-14H,5-11H2,1-4H3,(H,19,25)(H,20,24)(H,21,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Inhibition of bovine cathepsin B				J Med Chem 39: 4089-98 (1996) Article DOI: 10.1021/jm950541c BindingDB Entry DOI: 10.7270/Q2TX3DGR
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50053811 (CHEMBL338957 | Morpholine-4-carboxylic acid [1-(1-...) Show SMILES CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)N1CCOCC1 Show InChI InChI=1S/C18H32N4O5/c1-5-13(15(23)17(25)19-6-2)20-16(24)14(11-12(3)4)21-18(26)22-7-9-27-10-8-22/h12-14H,5-11H2,1-4H3,(H,19,25)(H,20,24)(H,21,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Inhibition of the cysteine protease human Calpain 1				J Med Chem 39: 4089-98 (1996) Article DOI: 10.1021/jm950541c BindingDB Entry DOI: 10.7270/Q2TX3DGR
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM50053811 (CHEMBL338957 | Morpholine-4-carboxylic acid [1-(1-...) Show SMILES CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)N1CCOCC1 Show InChI InChI=1S/C18H32N4O5/c1-5-13(15(23)17(25)19-6-2)20-16(24)14(11-12(3)4)21-18(26)22-7-9-27-10-8-22/h12-14H,5-11H2,1-4H3,(H,19,25)(H,20,24)(H,21,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Cysteine protease Calpain 2				J Med Chem 39: 4089-98 (1996) Article DOI: 10.1021/jm950541c BindingDB Entry DOI: 10.7270/Q2TX3DGR
					More data for this Ligand-Target Pair