BDBM122498 US8729061, 28

SMILES: CC(C)[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1

InChI Key: InChIKey=PYZOXRXOZRPQAH-VTZPFEBOSA-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 = 122498   

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))	BDBM122498 (US8729061, 28) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C30H33Cl2N3O6S/c1-17(2)25(26(36)28(38)33-20-11-12-20)34-27(37)23-15-21(42(40,41)24-6-4-3-5-22(24)32)16-35(23)29(39)30(13-14-30)18-7-9-19(31)10-8-18/h3-10,17,20-21,23,25H,11-16H2,1-2H3,(H,33,38)(H,34,37)/t21-,23+,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	0.328	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))	BDBM122498 (US8729061, 28) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C30H33Cl2N3O6S/c1-17(2)25(26(36)28(38)33-20-11-12-20)34-27(37)23-15-21(42(40,41)24-6-4-3-5-22(24)32)16-35(23)29(39)30(13-14-30)18-7-9-19(31)10-8-18/h3-10,17,20-21,23,25H,11-16H2,1-2H3,(H,33,38)(H,34,37)/t21-,23+,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	97.3	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))	BDBM122498 (US8729061, 28) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C30H33Cl2N3O6S/c1-17(2)25(26(36)28(38)33-20-11-12-20)34-27(37)23-15-21(42(40,41)24-6-4-3-5-22(24)32)16-35(23)29(39)30(13-14-30)18-7-9-19(31)10-8-18/h3-10,17,20-21,23,25H,11-16H2,1-2H3,(H,33,38)(H,34,37)/t21-,23+,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	38.2	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))	BDBM122498 (US8729061, 28) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C30H33Cl2N3O6S/c1-17(2)25(26(36)28(38)33-20-11-12-20)34-27(37)23-15-21(42(40,41)24-6-4-3-5-22(24)32)16-35(23)29(39)30(13-14-30)18-7-9-19(31)10-8-18/h3-10,17,20-21,23,25H,11-16H2,1-2H3,(H,33,38)(H,34,37)/t21-,23+,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	5.20	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