BDBM31972 Dipeptidyl nitrile inhibitor, 5

SMILES: Clc1cccc(C[C@H](NC(=O)C2=CCCCC2)C(=O)NCC#N)c1

InChI Key: InChIKey=DPPHOBBFELMDNQ-INIZCTEOSA-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 = 31972   

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))	BDBM31972 (Dipeptidyl nitrile inhibitor, 5) Show SMILES Clc1cccc(C[C@H](NC(=O)C2=CCCCC2)C(=O)NCC#N)c1 |r,t:11| Show InChI InChI=1S/C18H20ClN3O2/c19-15-8-4-5-13(11-15)12-16(18(24)21-10-9-20)22-17(23)14-6-2-1-3-7-14/h4-6,8,11,16H,1-3,7,10,12H2,(H,21,24)(H,22,23)/t16-/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	501	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))	BDBM31972 (Dipeptidyl nitrile inhibitor, 5) Show SMILES Clc1cccc(C[C@H](NC(=O)C2=CCCCC2)C(=O)NCC#N)c1 |r,t:11| Show InChI InChI=1S/C18H20ClN3O2/c19-15-8-4-5-13(11-15)12-16(18(24)21-10-9-20)22-17(23)14-6-2-1-3-7-14/h4-6,8,11,16H,1-3,7,10,12H2,(H,21,24)(H,22,23)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	398	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 B (Homo sapiens (Human))	BDBM31972 (Dipeptidyl nitrile inhibitor, 5) Show SMILES Clc1cccc(C[C@H](NC(=O)C2=CCCCC2)C(=O)NCC#N)c1 |r,t:11| Show InChI InChI=1S/C18H20ClN3O2/c19-15-8-4-5-13(11-15)12-16(18(24)21-10-9-20)22-17(23)14-6-2-1-3-7-14/h4-6,8,11,16H,1-3,7,10,12H2,(H,21,24)(H,22,23)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	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))	BDBM31972 (Dipeptidyl nitrile inhibitor, 5) Show SMILES Clc1cccc(C[C@H](NC(=O)C2=CCCCC2)C(=O)NCC#N)c1 |r,t:11| Show InChI InChI=1S/C18H20ClN3O2/c19-15-8-4-5-13(11-15)12-16(18(24)21-10-9-20)22-17(23)14-6-2-1-3-7-14/h4-6,8,11,16H,1-3,7,10,12H2,(H,21,24)(H,22,23)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	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))	BDBM31972 (Dipeptidyl nitrile inhibitor, 5) Show SMILES Clc1cccc(C[C@H](NC(=O)C2=CCCCC2)C(=O)NCC#N)c1 |r,t:11| Show InChI InChI=1S/C18H20ClN3O2/c19-15-8-4-5-13(11-15)12-16(18(24)21-10-9-20)22-17(23)14-6-2-1-3-7-14/h4-6,8,11,16H,1-3,7,10,12H2,(H,21,24)(H,22,23)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+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