balicatib [Ligand Id: 7861] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL371064 (AAE-581, AAE581, Balicatib)
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
cathepsin B/Cathepsin B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4072] [GtoPdb: 2343] [UniProtKB: P07858]
ChEMBL Inhibition of human cathepsin B using Z-Arg-Arg-pNA chromogenic substrate fluorogenic substrate incubated for 30 mins B 5.42 pKi 3800 nM Ki ACS Med Chem Lett (2014) 5: 1076-1081 [PMID:25313316]
ChEMBL Inhibitory constant against human cathepsin B using Boc-Leu-Lys-Arg-AMC substrate B 5.54 pKi 2900 nM Ki J Med Chem (2005) 48: 7520-7534 [PMID:16302794]
ChEMBL Inhibitory activity against human cathepsin B B 5.32 pIC50 4800 nM IC50 J Med Chem (2005) 48: 7535-7543 [PMID:16302795]
ChEMBL Inhibition of human recombinant CatB assessed as suppression of enzyme-mediated Z-Arg-Arg-AMC cleavage by QFRET assay B 5.32 pIC50 4750 nM IC50 J Med Chem (2012) 55: 6363-6374 [PMID:22742641]
ChEMBL Inhibitory activity against human cathepsin B expressed in HepG2 cells B 7.21 pIC50 61 nM IC50 J Med Chem (2005) 48: 7535-7543 [PMID:16302795]
ChEMBL Inhibition of cathepsin B in human HepG2 cells B 7.21 pIC50 61 nM IC50 Bioorg Med Chem Lett (2008) 18: 923-928 [PMID:18226527]
cathepsin D/Cathepsin D in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2581] [GtoPdb: 2345] [UniProtKB: P07339]
ChEMBL Inhibition of human cathepsin K using Z-Leu-Arg-AMC fluorogenic substrate incubated for 60 mins B 8.89 pKi 1.29 nM Ki ACS Med Chem Lett (2014) 5: 1076-1081 [PMID:25313316]
cathepsin K/Cathepsin K in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL268] [GtoPdb: 2350] [UniProtKB: P43235]
ChEMBL Inhibition of human cathepsin-K using Z-Gly-Pro-Arg-AMC as substrate preincubated for 30 mins measured after 10 mins by fluorescence assay B 8.85 pKi 1.4 nM Ki J Med Chem (2015) 58: 6928-6937 [PMID:26280490]
ChEMBL Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay B 8.3 pIC50 5 nM IC50 J Med Chem (2012) 55: 6363-6374 [PMID:22742641]
ChEMBL Inhibition of cathepsin-k B 8.3 pIC50 5 nM IC50 J Med Chem (2012) 55: 8827-8837 [PMID:22984809]
GtoPdb - - 8.85 pIC50 1.4 nM IC50 J Med Chem (2010) 53: 4332-53 [PMID:20218623]
ChEMBL Inhibitory activity against humanized rabbit cathepsin K B 8.85 pIC50 1.4 nM IC50 J Med Chem (2005) 48: 7535-7543 [PMID:16302795]
ChEMBL Inhibition of cathepsin K B 8.85 pIC50 1.4 nM IC50 J Med Chem (2010) 53: 4332-4353 [PMID:20218623]
ChEMBL Inhibition of human cathepsin K B 9.22 pIC50 0.6 nM IC50 Bioorg Med Chem Lett (2008) 18: 923-928 [PMID:18226527]
Cathepsin K in Rabbit (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3349] [UniProtKB: P43236]
ChEMBL Inhibitory constant against rabbit cathepsin K using Z-Phe-Arg-AMC substrate B 8.85 pKi 1.4 nM Ki J Med Chem (2005) 48: 7520-7534 [PMID:16302794]
ChEMBL Inhibitory activity against rabbit cathepsin K B 8.57 pIC50 2.7 nM IC50 J Med Chem (2005) 48: 7535-7543 [PMID:16302795]
ChEMBL Inhibition of rabbit cathepsin K B 8.57 pIC50 2.7 nM IC50 Bioorg Med Chem Lett (2008) 18: 923-928 [PMID:18226527]
cathepsin L/Cathepsin L in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3837] [GtoPdb: 2351] [UniProtKB: P07711]
ChEMBL Inhibitory constant against human cathepsin L using Z-Phe-Arg-AMC substrate B 4.74 pKi 18000 nM Ki J Med Chem (2005) 48: 7520-7534 [PMID:16302794]
ChEMBL Inhibition of human cathepsin L using Z-Phe-Arg-pNA chromogenic substrate fluorogenic substrate incubated for 30 mins B 5.49 pKi 3260 nM Ki ACS Med Chem Lett (2014) 5: 1076-1081 [PMID:25313316]
ChEMBL Inhibition of human cathepsin-L using Z-Phe-Arg-AMC as substrate preincubated for 30 mins measured after 10 mins by fluorescence assay B 6.3 pKi 503 nM Ki J Med Chem (2015) 58: 6928-6937 [PMID:26280490]
ChEMBL Inhibitory activity against human cathepsin L B 6.3 pIC50 503 nM IC50 J Med Chem (2005) 48: 7535-7543 [PMID:16302795]
ChEMBL Inhibitory activity against human cathepsin L expressed in HepG2 cells B 7.32 pIC50 48 nM IC50 J Med Chem (2005) 48: 7535-7543 [PMID:16302795]
ChEMBL Inhibition of cathepsin L in human HepG2 cells B 7.32 pIC50 48 nM IC50 Bioorg Med Chem Lett (2008) 18: 923-928 [PMID:18226527]
cathepsin S/Cathepsin S in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2954] [GtoPdb: 2353] [UniProtKB: P25774]
ChEMBL Inhibition of human cathepsin-S using Z-Phe-Val-Arg-AMC as substrate preincubated for 30 mins measured after 10 mins by fluorescence assay B 4.19 pKi 65000 nM Ki J Med Chem (2015) 58: 6928-6937 [PMID:26280490]
ChEMBL Inhibition of human cathepsin S using Z-Phe-Arg-AMC fluorogenic substrate fluorogenic substrate incubated for 60 mins B 4.52 pKi 30100 nM Ki ACS Med Chem Lett (2014) 5: 1076-1081 [PMID:25313316]
ChEMBL Inhibitory constant against human cathepsin S using Z-Val-Val-Arg-AMC substrate B 4.55 pKi 28000 nM Ki J Med Chem (2005) 48: 7520-7534 [PMID:16302794]
ChEMBL Inhibitory activity against human cathepsin S B 4.19 pIC50 65000 nM IC50 J Med Chem (2005) 48: 7535-7543 [PMID:16302795]
ChEMBL Inhibitory activity against human cathepsin S expressed in ramos cells B 5.54 pIC50 2900 nM IC50 J Med Chem (2005) 48: 7535-7543 [PMID:16302795]
ChEMBL Inhibition of cathepsin S in human ramos cells B 5.54 pIC50 2900 nM IC50 Bioorg Med Chem Lett (2008) 18: 923-928 [PMID:18226527]
cathepsin S/Cathepsin S in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4098] [GtoPdb: 2353] [UniProtKB: O70370]
ChEMBL Inhibitory activity against mouse cathepsin S B 5.2 pIC50 6350 nM IC50 J Med Chem (2005) 48: 7535-7543 [PMID:16302795]
ChEMBL Inhibitory activity against mouse cathepsin S in mouse splenocytes B 6.32 pIC50 480 nM IC50 J Med Chem (2005) 48: 7535-7543 [PMID:16302795]

ChEMBL data shown on this page come from version 33:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]