BDBM31981 Dipeptidyl nitrile inhibitor, 14

SMILES: Clc1cccc(C[C@H](NC(=O)c2cccc3ccccc23)C(=O)NCC#N)c1

InChI Key: InChIKey=NZBNSOUKYOEUFA-FQEVSTJZSA-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 = 31981   

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))	BDBM31981 (Dipeptidyl nitrile inhibitor, 14) Show SMILES Clc1cccc(C[C@H](NC(=O)c2cccc3ccccc23)C(=O)NCC#N)c1 |r| Show InChI InChI=1S/C22H18ClN3O2/c23-17-8-3-5-15(13-17)14-20(22(28)25-12-11-24)26-21(27)19-10-4-7-16-6-1-2-9-18(16)19/h1-10,13,20H,12,14H2,(H,25,28)(H,26,27)/t20-/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	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))	BDBM31981 (Dipeptidyl nitrile inhibitor, 14) Show SMILES Clc1cccc(C[C@H](NC(=O)c2cccc3ccccc23)C(=O)NCC#N)c1 |r| Show InChI InChI=1S/C22H18ClN3O2/c23-17-8-3-5-15(13-17)14-20(22(28)25-12-11-24)26-21(27)19-10-4-7-16-6-1-2-9-18(16)19/h1-10,13,20H,12,14H2,(H,25,28)(H,26,27)/t20-/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	3.98E+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 B (Homo sapiens (Human))	BDBM31981 (Dipeptidyl nitrile inhibitor, 14) Show SMILES Clc1cccc(C[C@H](NC(=O)c2cccc3ccccc23)C(=O)NCC#N)c1 |r| Show InChI InChI=1S/C22H18ClN3O2/c23-17-8-3-5-15(13-17)14-20(22(28)25-12-11-24)26-21(27)19-10-4-7-16-6-1-2-9-18(16)19/h1-10,13,20H,12,14H2,(H,25,28)(H,26,27)/t20-/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	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))	BDBM31981 (Dipeptidyl nitrile inhibitor, 14) Show SMILES Clc1cccc(C[C@H](NC(=O)c2cccc3ccccc23)C(=O)NCC#N)c1 |r| Show InChI InChI=1S/C22H18ClN3O2/c23-17-8-3-5-15(13-17)14-20(22(28)25-12-11-24)26-21(27)19-10-4-7-16-6-1-2-9-18(16)19/h1-10,13,20H,12,14H2,(H,25,28)(H,26,27)/t20-/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	>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))	BDBM31981 (Dipeptidyl nitrile inhibitor, 14) Show SMILES Clc1cccc(C[C@H](NC(=O)c2cccc3ccccc23)C(=O)NCC#N)c1 |r| Show InChI InChI=1S/C22H18ClN3O2/c23-17-8-3-5-15(13-17)14-20(22(28)25-12-11-24)26-21(27)19-10-4-7-16-6-1-2-9-18(16)19/h1-10,13,20H,12,14H2,(H,25,28)(H,26,27)/t20-/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	3.16E+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