BDBM122506 US8729061, 36

SMILES: CCCC(C)NC(=O)C(=O)[C@H](CC)NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl

InChI Key: InChIKey=GGWWZSKHPHUDIG-ZTFNOOTDSA-N

Data: 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 4 hits for monomerid = 122506   

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 S (Homo sapiens (Human))	BDBM122506 (US8729061, 36) Show SMILES CCCC(C)NC(=O)C(=O)[C@H](CC)NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl |r| Show InChI InChI=1S/C31H37Cl2N3O6S/c1-4-8-19(3)34-29(39)27(37)24(5-2)35-28(38)25-17-22(43(41,42)26-10-7-6-9-23(26)33)18-36(25)30(40)31(15-16-31)20-11-13-21(32)14-12-20/h6-7,9-14,19,22,24-25H,4-5,8,15-18H2,1-3H3,(H,34,39)(H,35,38)/t19?,22-,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.776	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM122506 (US8729061, 36) Show SMILES CCCC(C)NC(=O)C(=O)[C@H](CC)NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl |r| Show InChI InChI=1S/C31H37Cl2N3O6S/c1-4-8-19(3)34-29(39)27(37)24(5-2)35-28(38)25-17-22(43(41,42)26-10-7-6-9-23(26)33)18-36(25)30(40)31(15-16-31)20-11-13-21(32)14-12-20/h6-7,9-14,19,22,24-25H,4-5,8,15-18H2,1-3H3,(H,34,39)(H,35,38)/t19?,22-,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	350	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM122506 (US8729061, 36) Show SMILES CCCC(C)NC(=O)C(=O)[C@H](CC)NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl |r| Show InChI InChI=1S/C31H37Cl2N3O6S/c1-4-8-19(3)34-29(39)27(37)24(5-2)35-28(38)25-17-22(43(41,42)26-10-7-6-9-23(26)33)18-36(25)30(40)31(15-16-31)20-11-13-21(32)14-12-20/h6-7,9-14,19,22,24-25H,4-5,8,15-18H2,1-3H3,(H,34,39)(H,35,38)/t19?,22-,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	155	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM122506 (US8729061, 36) Show SMILES CCCC(C)NC(=O)C(=O)[C@H](CC)NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl |r| Show InChI InChI=1S/C31H37Cl2N3O6S/c1-4-8-19(3)34-29(39)27(37)24(5-2)35-28(38)25-17-22(43(41,42)26-10-7-6-9-23(26)33)18-36(25)30(40)31(15-16-31)20-11-13-21(32)14-12-20/h6-7,9-14,19,22,24-25H,4-5,8,15-18H2,1-3H3,(H,34,39)(H,35,38)/t19?,22-,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16.5	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair