BDBM50213272 CHEBI:6426::LEUPEPTIN::Leupeptin

SMILES: CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C=O

InChI Key: InChIKey=GDBQQVLCIARPGH-ULQDDVLXSA-N

Data: 2 KI  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 6 hits for monomerid = 50213272   

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 (Homo sapiens (Human))	BDBM50213272 (CHEBI:6426 | LEUPEPTIN | Leupeptin) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C=O |r| Show InChI InChI=1S/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t15-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The City University of New York Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				Bioorg Med Chem 21: 2975-87 (2013) Article DOI: 10.1016/j.bmc.2013.03.062 BindingDB Entry DOI: 10.7270/Q2PG1VNW
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50213272 (CHEBI:6426 | LEUPEPTIN | Leupeptin) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C=O |r| Show InChI InChI=1S/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t15-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of British Columbia Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human cathepsin K expressed in Pichia pastoris using Z-FR-MCA as substrate by Dixon plot method				Bioorg Med Chem Lett 27: 1397-1400 (2017) BindingDB Entry DOI: 10.7270/Q2H70J26
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50213272 (CHEBI:6426 | LEUPEPTIN | Leupeptin) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C=O |r| Show InChI InChI=1S/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t15-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	42.2	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human Cathepsin K				Bioorg Med Chem Lett 16: 6178-80 (2006) Article DOI: 10.1016/j.bmcl.2006.09.042 BindingDB Entry DOI: 10.7270/Q2C25069
					More data for this Ligand-Target Pair
Calpain1 (Homo sapiens (Human))	BDBM50213272 (CHEBI:6426 | LEUPEPTIN | Leupeptin) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C=O |r| Show InChI InChI=1S/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t15-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against human erythrocyte Calpain 1				Bioorg Med Chem Lett 5: 387-392 (1995) Article DOI: 10.1016/0960-894X(95)00041-Q BindingDB Entry DOI: 10.7270/Q21G0M6W
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50213272 (CHEBI:6426 | LEUPEPTIN | Leupeptin) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C=O |r| Show InChI InChI=1S/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t15-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibitory activity against Cathepsin B was determined				Bioorg Med Chem Lett 9: 3397-402 (1999) BindingDB Entry DOI: 10.7270/Q2G44SGN
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50213272 (CHEBI:6426 | LEUPEPTIN | Leupeptin) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C=O |r| Show InChI InChI=1S/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t15-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against cathepsin B				Bioorg Med Chem Lett 5: 1501-1504 (1995) Article DOI: 10.1016/0960-894X(95)00236-M BindingDB Entry DOI: 10.7270/Q23N23V9
					More data for this Ligand-Target Pair