BDBM122472 US8729061, 2

SMILES: CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1C)C(=O)C(=O)NC1CC1

InChI Key: InChIKey=GYPJWYCZYZSAOS-QYZOEREBSA-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 = 122472   

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))	BDBM122472 (US8729061, 2) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1C)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C25H34ClN3O7S/c1-6-18(21(30)23(32)27-16-8-9-16)28-22(31)19-12-17(13-29(19)24(33)36-25(3,4)5)37(34,35)20-10-7-15(26)11-14(20)2/h7,10-11,16-19H,6,8-9,12-13H2,1-5H3,(H,27,32)(H,28,31)/t17-,18+,19+/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.12	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))	BDBM122472 (US8729061, 2) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1C)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C25H34ClN3O7S/c1-6-18(21(30)23(32)27-16-8-9-16)28-22(31)19-12-17(13-29(19)24(33)36-25(3,4)5)37(34,35)20-10-7-15(26)11-14(20)2/h7,10-11,16-19H,6,8-9,12-13H2,1-5H3,(H,27,32)(H,28,31)/t17-,18+,19+/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.26E+4	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))	BDBM122472 (US8729061, 2) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1C)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C25H34ClN3O7S/c1-6-18(21(30)23(32)27-16-8-9-16)28-22(31)19-12-17(13-29(19)24(33)36-25(3,4)5)37(34,35)20-10-7-15(26)11-14(20)2/h7,10-11,16-19H,6,8-9,12-13H2,1-5H3,(H,27,32)(H,28,31)/t17-,18+,19+/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.43E+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))	BDBM122472 (US8729061, 2) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1C)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C25H34ClN3O7S/c1-6-18(21(30)23(32)27-16-8-9-16)28-22(31)19-12-17(13-29(19)24(33)36-25(3,4)5)37(34,35)20-10-7-15(26)11-14(20)2/h7,10-11,16-19H,6,8-9,12-13H2,1-5H3,(H,27,32)(H,28,31)/t17-,18+,19+/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.59E+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