BDBM122495 US8729061, 25

SMILES: CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Cl)cc1F)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1

InChI Key: InChIKey=VZTRAYHUTKYOCB-QMMLZNLJSA-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 = 122495   

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))	BDBM122495 (US8729061, 25) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Cl)cc1F)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C28H29Cl2FN4O6S/c1-2-20(23(36)26(38)33-16-7-8-16)34-25(37)21-12-17(42(40,41)22-6-4-3-5-18(22)30)14-35(21)27(39)28(9-10-28)24-19(31)11-15(29)13-32-24/h3-6,11,13,16-17,20-21H,2,7-10,12,14H2,1H3,(H,33,38)(H,34,37)/t17-,20+,21+/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	0.403	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))	BDBM122495 (US8729061, 25) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Cl)cc1F)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C28H29Cl2FN4O6S/c1-2-20(23(36)26(38)33-16-7-8-16)34-25(37)21-12-17(42(40,41)22-6-4-3-5-18(22)30)14-35(21)27(39)28(9-10-28)24-19(31)11-15(29)13-32-24/h3-6,11,13,16-17,20-21H,2,7-10,12,14H2,1H3,(H,33,38)(H,34,37)/t17-,20+,21+/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	251	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))	BDBM122495 (US8729061, 25) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Cl)cc1F)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C28H29Cl2FN4O6S/c1-2-20(23(36)26(38)33-16-7-8-16)34-25(37)21-12-17(42(40,41)22-6-4-3-5-18(22)30)14-35(21)27(39)28(9-10-28)24-19(31)11-15(29)13-32-24/h3-6,11,13,16-17,20-21H,2,7-10,12,14H2,1H3,(H,33,38)(H,34,37)/t17-,20+,21+/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	97.7	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))	BDBM122495 (US8729061, 25) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Cl)cc1F)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C28H29Cl2FN4O6S/c1-2-20(23(36)26(38)33-16-7-8-16)34-25(37)21-12-17(42(40,41)22-6-4-3-5-18(22)30)14-35(21)27(39)28(9-10-28)24-19(31)11-15(29)13-32-24/h3-6,11,13,16-17,20-21H,2,7-10,12,14H2,1H3,(H,33,38)(H,34,37)/t17-,20+,21+/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	9.80	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