BDBM122508 US8729061, 38

SMILES: CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)C(=O)NC1CC1

InChI Key: InChIKey=JEBQNHANRCYVLC-PUHATCMVSA-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 = 122508   

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))	BDBM122508 (US8729061, 38) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C29H30Cl3N3O6S/c1-2-22(25(36)27(38)33-19-8-9-19)34-26(37)23-14-20(42(40,41)24-10-7-18(31)13-21(24)32)15-35(23)28(39)29(11-12-29)16-3-5-17(30)6-4-16/h3-7,10,13,19-20,22-23H,2,8-9,11-12,14-15H2,1H3,(H,33,38)(H,34,37)/t20-,22+,23+/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	0.340	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))	BDBM122508 (US8729061, 38) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C29H30Cl3N3O6S/c1-2-22(25(36)27(38)33-19-8-9-19)34-26(37)23-14-20(42(40,41)24-10-7-18(31)13-21(24)32)15-35(23)28(39)29(11-12-29)16-3-5-17(30)6-4-16/h3-7,10,13,19-20,22-23H,2,8-9,11-12,14-15H2,1H3,(H,33,38)(H,34,37)/t20-,22+,23+/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	154	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))	BDBM122508 (US8729061, 38) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C29H30Cl3N3O6S/c1-2-22(25(36)27(38)33-19-8-9-19)34-26(37)23-14-20(42(40,41)24-10-7-18(31)13-21(24)32)15-35(23)28(39)29(11-12-29)16-3-5-17(30)6-4-16/h3-7,10,13,19-20,22-23H,2,8-9,11-12,14-15H2,1H3,(H,33,38)(H,34,37)/t20-,22+,23+/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	53.3	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
Procathepsin L (Homo sapiens (Human))	BDBM122508 (US8729061, 38) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C29H30Cl3N3O6S/c1-2-22(25(36)27(38)33-19-8-9-19)34-26(37)23-14-20(42(40,41)24-10-7-18(31)13-21(24)32)15-35(23)28(39)29(11-12-29)16-3-5-17(30)6-4-16/h3-7,10,13,19-20,22-23H,2,8-9,11-12,14-15H2,1H3,(H,33,38)(H,34,37)/t20-,22+,23+/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	10.6	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