BDBM50326301 3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-2-oxopyrimidin-1(2H)-yl)propyl))-2-oxophenylbutanamide::CHEMBL1240875

SMILES: CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O

InChI Key: InChIKey=GMVNISWUDAZZOM-BBMPLOMVSA-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 = 50326301   

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 (Sus scrofa)	BDBM50326301 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O |r| Show InChI InChI=1S/C31H38N6O6/c1-21(2)18-25(35-31(42)43-20-23-12-7-4-8-13-23)28(39)34-24(19-22-10-5-3-6-11-22)27(38)29(40)33-15-9-16-37-17-14-26(32)36-30(37)41/h3-8,10-14,17,21,24-25H,9,15-16,18-20H2,1-2H3,(H,33,40)(H,34,39)(H,35,42)(H2,32,36,41)/t24?,25-/m0/s1	MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	438	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine kidney calpain 2				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50326301 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O |r| Show InChI InChI=1S/C31H38N6O6/c1-21(2)18-25(35-31(42)43-20-23-12-7-4-8-13-23)28(39)34-24(19-22-10-5-3-6-11-22)27(38)29(40)33-15-9-16-37-17-14-26(32)36-30(37)41/h3-8,10-14,17,21,24-25H,9,15-16,18-20H2,1-2H3,(H,33,40)(H,34,39)(H,35,42)(H2,32,36,41)/t24?,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Calpain-1 (Sus scrofa (pig))	BDBM50326301 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O |r| Show InChI InChI=1S/C31H38N6O6/c1-21(2)18-25(35-31(42)43-20-23-12-7-4-8-13-23)28(39)34-24(19-22-10-5-3-6-11-22)27(38)29(40)33-15-9-16-37-17-14-26(32)36-30(37)41/h3-8,10-14,17,21,24-25H,9,15-16,18-20H2,1-2H3,(H,33,40)(H,34,39)(H,35,42)(H2,32,36,41)/t24?,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte calpain 1				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair