BDBM50053810 CHEMBL130722::N-[1-(1-Ethylaminooxalyl-propylcarbamoyl)-3-methyl-butyl]-nicotinamide

SMILES: CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)c1cccnc1

InChI Key: InChIKey=IBEAJSQPIKDSAN-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 = 50053810   

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
Calpain-2 (m-Calpain) (Homo sapiens (Human))	BDBM50053810 (CHEMBL130722 | N-[1-(1-Ethylaminooxalyl-propylcarb...) Show SMILES CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)c1cccnc1 Show InChI InChI=1S/C19H28N4O4/c1-5-14(16(24)19(27)21-6-2)22-18(26)15(10-12(3)4)23-17(25)13-8-7-9-20-11-13/h7-9,11-12,14-15H,5-6,10H2,1-4H3,(H,21,27)(H,22,26)(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.830	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
Cathepsin B (Bos taurus (bovine))	BDBM50053810 (CHEMBL130722 | N-[1-(1-Ethylaminooxalyl-propylcarb...) Show SMILES CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)c1cccnc1 Show InChI InChI=1S/C19H28N4O4/c1-5-14(16(24)19(27)21-6-2)22-18(26)15(10-12(3)4)23-17(25)13-8-7-9-20-11-13/h7-9,11-12,14-15H,5-6,10H2,1-4H3,(H,21,27)(H,22,26)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.880	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
Calpain1 (Homo sapiens (Human))	BDBM50053810 (CHEMBL130722 | N-[1-(1-Ethylaminooxalyl-propylcarb...) Show SMILES CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)c1cccnc1 Show InChI InChI=1S/C19H28N4O4/c1-5-14(16(24)19(27)21-6-2)22-18(26)15(10-12(3)4)23-17(25)13-8-7-9-20-11-13/h7-9,11-12,14-15H,5-6,10H2,1-4H3,(H,21,27)(H,22,26)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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 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