BDBM122505 US8729061, 35

SMILES: CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCc1ccccc1

InChI Key: InChIKey=OFNOZMJQFVWTHP-PKXQUSJVSA-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 = 122505   

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))	BDBM122505 (US8729061, 35) Show SMILES CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C34H35Cl2N3O6S/c1-2-8-27(30(40)32(42)37-20-22-9-4-3-5-10-22)38-31(41)28-19-25(46(44,45)29-12-7-6-11-26(29)36)21-39(28)33(43)34(17-18-34)23-13-15-24(35)16-14-23/h3-7,9-16,25,27-28H,2,8,17-21H2,1H3,(H,37,42)(H,38,41)/t25-,27+,28+/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	1.21	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))	BDBM122505 (US8729061, 35) Show SMILES CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C34H35Cl2N3O6S/c1-2-8-27(30(40)32(42)37-20-22-9-4-3-5-10-22)38-31(41)28-19-25(46(44,45)29-12-7-6-11-26(29)36)21-39(28)33(43)34(17-18-34)23-13-15-24(35)16-14-23/h3-7,9-16,25,27-28H,2,8,17-21H2,1H3,(H,37,42)(H,38,41)/t25-,27+,28+/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	31	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))	BDBM122505 (US8729061, 35) Show SMILES CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C34H35Cl2N3O6S/c1-2-8-27(30(40)32(42)37-20-22-9-4-3-5-10-22)38-31(41)28-19-25(46(44,45)29-12-7-6-11-26(29)36)21-39(28)33(43)34(17-18-34)23-13-15-24(35)16-14-23/h3-7,9-16,25,27-28H,2,8,17-21H2,1H3,(H,37,42)(H,38,41)/t25-,27+,28+/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	21.5	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
Procathepsin L (Homo sapiens (Human))	BDBM122505 (US8729061, 35) Show SMILES CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C34H35Cl2N3O6S/c1-2-8-27(30(40)32(42)37-20-22-9-4-3-5-10-22)38-31(41)28-19-25(46(44,45)29-12-7-6-11-26(29)36)21-39(28)33(43)34(17-18-34)23-13-15-24(35)16-14-23/h3-7,9-16,25,27-28H,2,8,17-21H2,1H3,(H,37,42)(H,38,41)/t25-,27+,28+/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