BDBM122518 US8729061, 48

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

InChI Key: InChIKey=VZJRPBWJESTYLV-NHTMILBNSA-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 = 122518   

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))	BDBM122518 (US8729061, 48) Show SMILES CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C30H32Cl2FN3O6S/c1-2-3-23(26(37)28(39)34-20-9-10-20)35-27(38)24-15-21(43(41,42)25-11-8-19(33)14-22(25)32)16-36(24)29(40)30(12-13-30)17-4-6-18(31)7-5-17/h4-8,11,14,20-21,23-24H,2-3,9-10,12-13,15-16H2,1H3,(H,34,39)(H,35,38)/t21-,23+,24+/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	0.527	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))	BDBM122518 (US8729061, 48) Show SMILES CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C30H32Cl2FN3O6S/c1-2-3-23(26(37)28(39)34-20-9-10-20)35-27(38)24-15-21(43(41,42)25-11-8-19(33)14-22(25)32)16-36(24)29(40)30(12-13-30)17-4-6-18(31)7-5-17/h4-8,11,14,20-21,23-24H,2-3,9-10,12-13,15-16H2,1H3,(H,34,39)(H,35,38)/t21-,23+,24+/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	83.2	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
Cathepsin K (Homo sapiens (Human))	BDBM122518 (US8729061, 48) Show SMILES CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C30H32Cl2FN3O6S/c1-2-3-23(26(37)28(39)34-20-9-10-20)35-27(38)24-15-21(43(41,42)25-11-8-19(33)14-22(25)32)16-36(24)29(40)30(12-13-30)17-4-6-18(31)7-5-17/h4-8,11,14,20-21,23-24H,2-3,9-10,12-13,15-16H2,1H3,(H,34,39)(H,35,38)/t21-,23+,24+/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	35	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))	BDBM122518 (US8729061, 48) Show SMILES CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C30H32Cl2FN3O6S/c1-2-3-23(26(37)28(39)34-20-9-10-20)35-27(38)24-15-21(43(41,42)25-11-8-19(33)14-22(25)32)16-36(24)29(40)30(12-13-30)17-4-6-18(31)7-5-17/h4-8,11,14,20-21,23-24H,2-3,9-10,12-13,15-16H2,1H3,(H,34,39)(H,35,38)/t21-,23+,24+/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	9.40	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