BDBM31980 Dipeptidyl nitrile inhibitor, 13

SMILES: Cc1cc(C)cc(c1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N

InChI Key: InChIKey=XGRUEGXUKKXMFE-SFHVURJKSA-N

Data: 5 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 5 hits for monomerid = 31980   

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 L (Homo sapiens (Human))	BDBM31980 (Dipeptidyl nitrile inhibitor, 13) Show SMILES Cc1cc(C)cc(c1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r| Show InChI InChI=1S/C20H20ClN3O2/c1-13-8-14(2)10-16(9-13)19(25)24-18(20(26)23-7-6-22)12-15-4-3-5-17(21)11-15/h3-5,8-11,18H,7,12H2,1-2H3,(H,23,26)(H,24,25)/t18-/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.0	37
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM31980 (Dipeptidyl nitrile inhibitor, 13) Show SMILES Cc1cc(C)cc(c1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r| Show InChI InChI=1S/C20H20ClN3O2/c1-13-8-14(2)10-16(9-13)19(25)24-18(20(26)23-7-6-22)12-15-4-3-5-17(21)11-15/h3-5,8-11,18H,7,12H2,1-2H3,(H,23,26)(H,24,25)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM31980 (Dipeptidyl nitrile inhibitor, 13) Show SMILES Cc1cc(C)cc(c1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r| Show InChI InChI=1S/C20H20ClN3O2/c1-13-8-14(2)10-16(9-13)19(25)24-18(20(26)23-7-6-22)12-15-4-3-5-17(21)11-15/h3-5,8-11,18H,7,12H2,1-2H3,(H,23,26)(H,24,25)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM31980 (Dipeptidyl nitrile inhibitor, 13) Show SMILES Cc1cc(C)cc(c1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r| Show InChI InChI=1S/C20H20ClN3O2/c1-13-8-14(2)10-16(9-13)19(25)24-18(20(26)23-7-6-22)12-15-4-3-5-17(21)11-15/h3-5,8-11,18H,7,12H2,1-2H3,(H,23,26)(H,24,25)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM31980 (Dipeptidyl nitrile inhibitor, 13) Show SMILES Cc1cc(C)cc(c1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r| Show InChI InChI=1S/C20H20ClN3O2/c1-13-8-14(2)10-16(9-13)19(25)24-18(20(26)23-7-6-22)12-15-4-3-5-17(21)11-15/h3-5,8-11,18H,7,12H2,1-2H3,(H,23,26)(H,24,25)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair