BDBM50053855 3-(2-Diphenylacetylamino-4-methyl-pentanoylamino)-2-oxo-pentanoic acid (pyridin-2-ylmethyl)-amide::CHEMBL423704

SMILES: CCC(NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NCc1ccccn1

InChI Key: InChIKey=BXUSCFDRWLTJIE-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 = 50053855   

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))	BDBM50053855 (3-(2-Diphenylacetylamino-4-methyl-pentanoylamino)-...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NCc1ccccn1 Show InChI InChI=1S/C31H36N4O4/c1-4-25(28(36)31(39)33-20-24-17-11-12-18-32-24)34-29(37)26(19-21(2)3)35-30(38)27(22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-18,21,25-27H,4,19-20H2,1-3H3,(H,33,39)(H,34,37)(H,35,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0900	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
Calpain1 (Homo sapiens (Human))	BDBM50053855 (3-(2-Diphenylacetylamino-4-methyl-pentanoylamino)-...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NCc1ccccn1 Show InChI InChI=1S/C31H36N4O4/c1-4-25(28(36)31(39)33-20-24-17-11-12-18-32-24)34-29(37)26(19-21(2)3)35-30(38)27(22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-18,21,25-27H,4,19-20H2,1-3H3,(H,33,39)(H,34,37)(H,35,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	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
Cathepsin B (Homo sapiens (Human))	BDBM50053855 (3-(2-Diphenylacetylamino-4-methyl-pentanoylamino)-...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NCc1ccccn1 Show InChI InChI=1S/C31H36N4O4/c1-4-25(28(36)31(39)33-20-24-17-11-12-18-32-24)34-29(37)26(19-21(2)3)35-30(38)27(22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-18,21,25-27H,4,19-20H2,1-3H3,(H,33,39)(H,34,37)(H,35,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	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 human 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