Compile Data Set for Download or QSAR

Found 98 hits with Last Name = 'baek' and Initial = 'kh'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Procathepsin L (Homo sapiens (Human))	BDBM23866 (MDL28170 | Z-Val-Phe-CHO | benzyl N-[(1S)-2-methyl...) Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	5.5	37
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of cathepsin L was assayed in reaction buffer (0.1M NaOAc-HCl, 1 mM EDTA, 0.1% β-mercaptoethanol, pH 5.5) containing 20 µM subst...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM16509 ((2S)-1-[(2S,3S)-3-methyl-2-{[(2S,3S)-3-(propylcarb...) Show SMILES [H][C@@]1(O[C@]1([H])C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(O)=O)C(=O)NCCC |r| Show InChI InChI=1S/C18H29N3O6/c1-4-8-19-15(22)13-14(27-13)16(23)20-12(10(3)5-2)17(24)21-9-6-7-11(21)18(25)26/h10-14H,4-9H2,1-3H3,(H,19,22)(H,20,23)(H,25,26)/t10-,11-,12-,13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	5.5	37
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of cathepsin B was assayed in reaction buffer (50 mM NaOAc-HCl, 2 mM dithiothreitol, 2 mM EDTA, pH 5.5) containing 20 µM substrate an...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Procathepsin L (Homo sapiens (Human))	BDBM110185 (Z-FF-FMK | benzyl N-[1-[(4-fluoro-3-oxo-1-phenylbu...) Show SMILES FCC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C27H27FN2O4/c28-18-25(31)23(16-20-10-4-1-5-11-20)29-26(32)24(17-21-12-6-2-7-13-21)30-27(33)34-19-22-14-8-3-9-15-22/h1-15,23-24H,16-19H2,(H,29,32)(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	5.5	37
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of cathepsin L was assayed in reaction buffer (0.1M NaOAc-HCl, 1 mM EDTA, 0.1% β-mercaptoethanol, pH 5.5) containing 20 µM subst...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM110185 (Z-FF-FMK | benzyl N-[1-[(4-fluoro-3-oxo-1-phenylbu...) Show SMILES FCC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C27H27FN2O4/c28-18-25(31)23(16-20-10-4-1-5-11-20)29-26(32)24(17-21-12-6-2-7-13-21)30-27(33)34-19-22-14-8-3-9-15-22/h1-15,23-24H,16-19H2,(H,29,32)(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65.6	n/a	n/a	n/a	n/a	5.5	37
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of cathepsin B was assayed in reaction buffer (50 mM NaOAc-HCl, 2 mM dithiothreitol, 2 mM EDTA, pH 5.5) containing 20 µM substrate an...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50491472 (CHEMBL2368566) Show SMILES FCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C27H27FN2O4/c28-18-25(31)23(16-20-10-4-1-5-11-20)29-26(32)24(17-21-12-6-2-7-13-21)30-27(33)34-19-22-14-8-3-9-15-22/h1-15,23-24H,16-19H2,(H,29,32)(H,30,33)/t23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
CHA University Curated by ChEMBL					Assay Description Inhibition of cathepsin B (unknown origin) using RR-AMC as substrate after 30 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3320-4 (2013) Article DOI: 10.1016/j.bmcl.2013.03.106 BindingDB Entry DOI: 10.7270/Q2PN98J8
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50491472 (CHEMBL2368566) Show SMILES FCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C27H27FN2O4/c28-18-25(31)23(16-20-10-4-1-5-11-20)29-26(32)24(17-21-12-6-2-7-13-21)30-27(33)34-19-22-14-8-3-9-15-22/h1-15,23-24H,16-19H2,(H,29,32)(H,30,33)/t23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
CHA University Curated by ChEMBL					Assay Description Inhibition of cathepsin L (unknown origin) using Z-FR-AMC as substrate after 30 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3320-4 (2013) Article DOI: 10.1016/j.bmcl.2013.03.106 BindingDB Entry DOI: 10.7270/Q2PN98J8
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM23866 (MDL28170 | Z-Val-Phe-CHO | benzyl N-[(1S)-2-methyl...) Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	95.8	n/a	n/a	n/a	n/a	5.5	37
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of cathepsin B was assayed in reaction buffer (50 mM NaOAc-HCl, 2 mM dithiothreitol, 2 mM EDTA, pH 5.5) containing 20 µM substrate an...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM23866 (MDL28170 | Z-Val-Phe-CHO | benzyl N-[(1S)-2-methyl...) Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	7.5	25
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of µ-calpain was assayed in the reaction buffer (50 mM Tris-HCl, 50 mM NaCl, 1 mM EDTA, 1 mM EGTA and 5 mM β-mercaptoethanol, pH...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM23866 (MDL28170 | Z-Val-Phe-CHO | benzyl N-[(1S)-2-methyl...) Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	7.5	25
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of m-calpain was assayed in the reaction buffer (50 mM Tris-HCl, 100 mM NaCl, 5 mM β-mercaptoethanol, and 1 mM EDTA, pH 7.5) with 50 ...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM110185 (Z-FF-FMK | benzyl N-[1-[(4-fluoro-3-oxo-1-phenylbu...) Show SMILES FCC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C27H27FN2O4/c28-18-25(31)23(16-20-10-4-1-5-11-20)29-26(32)24(17-21-12-6-2-7-13-21)30-27(33)34-19-22-14-8-3-9-15-22/h1-15,23-24H,16-19H2,(H,29,32)(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	397	n/a	n/a	n/a	n/a	7.5	25
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of µ-calpain was assayed in the reaction buffer (50 mM Tris-HCl, 50 mM NaCl, 1 mM EDTA, 1 mM EGTA and 5 mM β-mercaptoethanol, pH...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM110185 (Z-FF-FMK | benzyl N-[1-[(4-fluoro-3-oxo-1-phenylbu...) Show SMILES FCC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C27H27FN2O4/c28-18-25(31)23(16-20-10-4-1-5-11-20)29-26(32)24(17-21-12-6-2-7-13-21)30-27(33)34-19-22-14-8-3-9-15-22/h1-15,23-24H,16-19H2,(H,29,32)(H,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	418	n/a	n/a	n/a	n/a	7.5	25
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of m-calpain was assayed in the reaction buffer (50 mM Tris-HCl, 100 mM NaCl, 5 mM β-mercaptoethanol, and 1 mM EDTA, pH 7.5) with 50 ...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50491474 (CHEMBL2382116) Show SMILES Oc1ccc(cc1)C(=O)\C=C\c1ccc(cc1)N1CCCC1 Show InChI InChI=1S/C19H19NO2/c21-18-10-6-16(7-11-18)19(22)12-5-15-3-8-17(9-4-15)20-13-1-2-14-20/h3-12,21H,1-2,13-14H2/b12-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
CHA University Curated by ChEMBL					Assay Description Inhibition of cathepsin B (unknown origin) using RR-AMC as substrate after 30 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3320-4 (2013) Article DOI: 10.1016/j.bmcl.2013.03.106 BindingDB Entry DOI: 10.7270/Q2PN98J8
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM110191 (3-(2,4-Dihydroxyphenyl)-1-(thiophen-2-yl)propenone...) Show SMILES Oc1ccc(\C=C\C(=O)c2cccs2)c(O)c1 Show InChI InChI=1S/C13H10O3S/c14-10-5-3-9(12(16)8-10)4-6-11(15)13-2-1-7-17-13/h1-8,14,16H/b6-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	5.5	37
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of cathepsin L was assayed in reaction buffer (0.1M NaOAc-HCl, 1 mM EDTA, 0.1% β-mercaptoethanol, pH 5.5) containing 20 µM subst...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM110192 (3-(2,4-Dihydroxyphenyl)-1-(furan-2-yl)propenone (1...) Show SMILES Oc1ccc(\C=C\C(=O)c2ccco2)c(O)c1 Show InChI InChI=1S/C13H10O4/c14-10-5-3-9(12(16)8-10)4-6-11(15)13-2-1-7-17-13/h1-8,14,16H/b6-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.87E+3	n/a	n/a	n/a	n/a	5.5	37
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of cathepsin L was assayed in reaction buffer (0.1M NaOAc-HCl, 1 mM EDTA, 0.1% β-mercaptoethanol, pH 5.5) containing 20 µM subst...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50491474 (CHEMBL2382116) Show SMILES Oc1ccc(cc1)C(=O)\C=C\c1ccc(cc1)N1CCCC1 Show InChI InChI=1S/C19H19NO2/c21-18-10-6-16(7-11-18)19(22)12-5-15-3-8-17(9-4-15)20-13-1-2-14-20/h3-12,21H,1-2,13-14H2/b12-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
CHA University Curated by ChEMBL					Assay Description Inhibition of cathepsin L (unknown origin) using Z-FR-AMC as substrate after 30 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3320-4 (2013) Article DOI: 10.1016/j.bmcl.2013.03.106 BindingDB Entry DOI: 10.7270/Q2PN98J8
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50491473 (CHEMBL2382117) Show SMILES Oc1ccc(C(=O)\C=C\c2ccc(cc2)N2CCCC2)c(O)c1 Show InChI InChI=1S/C19H19NO3/c21-16-8-9-17(19(23)13-16)18(22)10-5-14-3-6-15(7-4-14)20-11-1-2-12-20/h3-10,13,21,23H,1-2,11-12H2/b10-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
CHA University Curated by ChEMBL					Assay Description Inhibition of cathepsin L (unknown origin) using Z-FR-AMC as substrate after 30 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3320-4 (2013) Article DOI: 10.1016/j.bmcl.2013.03.106 BindingDB Entry DOI: 10.7270/Q2PN98J8
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50491483 (CHEMBL2382119) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)\C=C\c1ccc(cc1)N1CCCC1 Show InChI InChI=1S/C19H18N2O3/c22-19(16-6-10-18(11-7-16)21(23)24)12-5-15-3-8-17(9-4-15)20-13-1-2-14-20/h3-12H,1-2,13-14H2/b12-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
CHA University Curated by ChEMBL					Assay Description Inhibition of cathepsin L (unknown origin) using Z-FR-AMC as substrate after 30 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3320-4 (2013) Article DOI: 10.1016/j.bmcl.2013.03.106 BindingDB Entry DOI: 10.7270/Q2PN98J8
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM110191 (3-(2,4-Dihydroxyphenyl)-1-(thiophen-2-yl)propenone...) Show SMILES Oc1ccc(\C=C\C(=O)c2cccs2)c(O)c1 Show InChI InChI=1S/C13H10O3S/c14-10-5-3-9(12(16)8-10)4-6-11(15)13-2-1-7-17-13/h1-8,14,16H/b6-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	5.5	37
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of cathepsin B was assayed in reaction buffer (50 mM NaOAc-HCl, 2 mM dithiothreitol, 2 mM EDTA, pH 5.5) containing 20 µM substrate an...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM110190 (1-(2,4-Dihydroxyphenyl)-3-(furan-2-yl)propenone (1...) Show SMILES Oc1ccc(C(=O)\C=C\c2ccco2)c(O)c1 Show InChI InChI=1S/C13H10O4/c14-9-3-5-11(13(16)8-9)12(15)6-4-10-2-1-7-17-10/h1-8,14,16H/b6-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.54E+4	n/a	n/a	n/a	n/a	7.5	25
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of m-calpain was assayed in the reaction buffer (50 mM Tris-HCl, 100 mM NaCl, 5 mM β-mercaptoethanol, and 1 mM EDTA, pH 7.5) with 50 ...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50491473 (CHEMBL2382117) Show SMILES Oc1ccc(C(=O)\C=C\c2ccc(cc2)N2CCCC2)c(O)c1 Show InChI InChI=1S/C19H19NO3/c21-16-8-9-17(19(23)13-16)18(22)10-5-14-3-6-15(7-4-14)20-11-1-2-12-20/h3-10,13,21,23H,1-2,11-12H2/b10-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
CHA University Curated by ChEMBL					Assay Description Inhibition of cathepsin B (unknown origin) using RR-AMC as substrate after 30 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3320-4 (2013) Article DOI: 10.1016/j.bmcl.2013.03.106 BindingDB Entry DOI: 10.7270/Q2PN98J8
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50491483 (CHEMBL2382119) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)\C=C\c1ccc(cc1)N1CCCC1 Show InChI InChI=1S/C19H18N2O3/c22-19(16-6-10-18(11-7-16)21(23)24)12-5-15-3-8-17(9-4-15)20-13-1-2-14-20/h3-12H,1-2,13-14H2/b12-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
CHA University Curated by ChEMBL					Assay Description Inhibition of cathepsin B (unknown origin) using RR-AMC as substrate after 30 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3320-4 (2013) Article DOI: 10.1016/j.bmcl.2013.03.106 BindingDB Entry DOI: 10.7270/Q2PN98J8
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50491477 (CHEMBL2382054) Show SMILES COc1ccc(\C=C\C(=O)c2ccc(O)cc2)cc1Br Show InChI InChI=1S/C16H13BrO3/c1-20-16-9-3-11(10-14(16)17)2-8-15(19)12-4-6-13(18)7-5-12/h2-10,18H,1H3/b8-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
CHA University Curated by ChEMBL					Assay Description Inhibition of cathepsin L (unknown origin) using Z-FR-AMC as substrate after 30 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3320-4 (2013) Article DOI: 10.1016/j.bmcl.2013.03.106 BindingDB Entry DOI: 10.7270/Q2PN98J8
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50068267 ((E)-3-(4-Hydroxy-2-methoxy-phenyl)-1-(4-hydroxy-ph...) Show SMILES COc1cc(O)ccc1\C=C\C(=O)c1ccc(O)cc1 Show InChI InChI=1S/C16H14O4/c1-20-16-10-14(18)8-4-12(16)5-9-15(19)11-2-6-13(17)7-3-11/h2-10,17-18H,1H3/b9-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
CHA University Curated by ChEMBL					Assay Description Inhibition of cathepsin L (unknown origin) using Z-FR-AMC as substrate after 30 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3320-4 (2013) Article DOI: 10.1016/j.bmcl.2013.03.106 BindingDB Entry DOI: 10.7270/Q2PN98J8
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50491468 (CHEMBL2382114) Show SMILES COc1cc(O)ccc1\C=C\C(=O)c1ccc(N)cc1 Show InChI InChI=1S/C16H15NO3/c1-20-16-10-14(18)8-4-12(16)5-9-15(19)11-2-6-13(17)7-3-11/h2-10,18H,17H2,1H3/b9-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
CHA University Curated by ChEMBL					Assay Description Inhibition of cathepsin L (unknown origin) using Z-FR-AMC as substrate after 30 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3320-4 (2013) Article DOI: 10.1016/j.bmcl.2013.03.106 BindingDB Entry DOI: 10.7270/Q2PN98J8
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50491478 (CHEMBL2382113) Show SMILES COc1cc(O)ccc1\C=C\C(=O)c1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C18H17NO4/c1-12(20)19-15-7-3-13(4-8-15)17(22)10-6-14-5-9-16(21)11-18(14)23-2/h3-11,21H,1-2H3,(H,19,20)/b10-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
CHA University Curated by ChEMBL					Assay Description Inhibition of cathepsin L (unknown origin) using Z-FR-AMC as substrate after 30 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3320-4 (2013) Article DOI: 10.1016/j.bmcl.2013.03.106 BindingDB Entry DOI: 10.7270/Q2PN98J8
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM110189 (1-(2,4-Dihydroxyphenyl)-3-(thiophen-2-yl)propenone...) Show SMILES Oc1ccc(C(=O)\C=C\c2cccs2)c(O)c1 Show InChI InChI=1S/C13H10O3S/c14-9-3-5-11(13(16)8-9)12(15)6-4-10-2-1-7-17-10/h1-8,14,16H/b6-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.99E+4	n/a	n/a	n/a	n/a	7.5	25
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of m-calpain was assayed in the reaction buffer (50 mM Tris-HCl, 100 mM NaCl, 5 mM β-mercaptoethanol, and 1 mM EDTA, pH 7.5) with 50 ...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM110186 (1-(2,4-Dihydroxyphenyl)-3-(pyridin-4-yl)propenone ...) Show SMILES Oc1ccc(C(=O)\C=C\c2ccncc2)c(O)c1 Show InChI InChI=1S/C14H11NO3/c16-11-2-3-12(14(18)9-11)13(17)4-1-10-5-7-15-8-6-10/h1-9,16,18H/b4-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.44E+4	n/a	n/a	n/a	n/a	5.5	37
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of cathepsin L was assayed in reaction buffer (0.1M NaOAc-HCl, 1 mM EDTA, 0.1% β-mercaptoethanol, pH 5.5) containing 20 µM subst...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50491476 (CHEMBL2382056) Show SMILES COc1ccc(C(=O)\C=C\c2ccc(OC)c(Br)c2)c(O)c1 Show InChI InChI=1S/C17H15BrO4/c1-21-12-5-6-13(16(20)10-12)15(19)7-3-11-4-8-17(22-2)14(18)9-11/h3-10,20H,1-2H3/b7-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
CHA University Curated by ChEMBL					Assay Description Inhibition of cathepsin L (unknown origin) using Z-FR-AMC as substrate after 30 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3320-4 (2013) Article DOI: 10.1016/j.bmcl.2013.03.106 BindingDB Entry DOI: 10.7270/Q2PN98J8
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50491478 (CHEMBL2382113) Show SMILES COc1cc(O)ccc1\C=C\C(=O)c1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C18H17NO4/c1-12(20)19-15-7-3-13(4-8-15)17(22)10-6-14-5-9-16(21)11-18(14)23-2/h3-11,21H,1-2H3,(H,19,20)/b10-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
CHA University Curated by ChEMBL					Assay Description Inhibition of cathepsin B (unknown origin) using RR-AMC as substrate after 30 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3320-4 (2013) Article DOI: 10.1016/j.bmcl.2013.03.106 BindingDB Entry DOI: 10.7270/Q2PN98J8
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM110192 (3-(2,4-Dihydroxyphenyl)-1-(furan-2-yl)propenone (1...) Show SMILES Oc1ccc(\C=C\C(=O)c2ccco2)c(O)c1 Show InChI InChI=1S/C13H10O4/c14-10-5-3-9(12(16)8-10)4-6-11(15)13-2-1-7-17-13/h1-8,14,16H/b6-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.95E+4	n/a	n/a	n/a	n/a	5.5	37
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of cathepsin B was assayed in reaction buffer (50 mM NaOAc-HCl, 2 mM dithiothreitol, 2 mM EDTA, pH 5.5) containing 20 µM substrate an...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM110186 (1-(2,4-Dihydroxyphenyl)-3-(pyridin-4-yl)propenone ...) Show SMILES Oc1ccc(C(=O)\C=C\c2ccncc2)c(O)c1 Show InChI InChI=1S/C14H11NO3/c16-11-2-3-12(14(18)9-11)13(17)4-1-10-5-7-15-8-6-10/h1-9,16,18H/b4-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.03E+4	n/a	n/a	n/a	n/a	5.5	37
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of cathepsin B was assayed in reaction buffer (50 mM NaOAc-HCl, 2 mM dithiothreitol, 2 mM EDTA, pH 5.5) containing 20 µM substrate an...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM110189 (1-(2,4-Dihydroxyphenyl)-3-(thiophen-2-yl)propenone...) Show SMILES Oc1ccc(C(=O)\C=C\c2cccs2)c(O)c1 Show InChI InChI=1S/C13H10O3S/c14-9-3-5-11(13(16)8-9)12(15)6-4-10-2-1-7-17-10/h1-8,14,16H/b6-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a	5.5	37
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of cathepsin L was assayed in reaction buffer (0.1M NaOAc-HCl, 1 mM EDTA, 0.1% β-mercaptoethanol, pH 5.5) containing 20 µM subst...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50491481 (CHEMBL2382118) Show SMILES Fc1ccc(cc1)C(=O)\C=C\c1ccc(cc1)N1CCCC1 Show InChI InChI=1S/C19H18FNO/c20-17-8-6-16(7-9-17)19(22)12-5-15-3-10-18(11-4-15)21-13-1-2-14-21/h3-12H,1-2,13-14H2/b12-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
CHA University Curated by ChEMBL					Assay Description Inhibition of cathepsin B (unknown origin) using RR-AMC as substrate after 30 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3320-4 (2013) Article DOI: 10.1016/j.bmcl.2013.03.106 BindingDB Entry DOI: 10.7270/Q2PN98J8
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM110189 (1-(2,4-Dihydroxyphenyl)-3-(thiophen-2-yl)propenone...) Show SMILES Oc1ccc(C(=O)\C=C\c2cccs2)c(O)c1 Show InChI InChI=1S/C13H10O3S/c14-9-3-5-11(13(16)8-9)12(15)6-4-10-2-1-7-17-10/h1-8,14,16H/b6-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.62E+4	n/a	n/a	n/a	n/a	7.5	25
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of µ-calpain was assayed in the reaction buffer (50 mM Tris-HCl, 50 mM NaCl, 1 mM EDTA, 1 mM EGTA and 5 mM β-mercaptoethanol, pH...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50491481 (CHEMBL2382118) Show SMILES Fc1ccc(cc1)C(=O)\C=C\c1ccc(cc1)N1CCCC1 Show InChI InChI=1S/C19H18FNO/c20-17-8-6-16(7-9-17)19(22)12-5-15-3-10-18(11-4-15)21-13-1-2-14-21/h3-12H,1-2,13-14H2/b12-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
CHA University Curated by ChEMBL					Assay Description Inhibition of cathepsin L (unknown origin) using Z-FR-AMC as substrate after 30 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3320-4 (2013) Article DOI: 10.1016/j.bmcl.2013.03.106 BindingDB Entry DOI: 10.7270/Q2PN98J8
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50068267 ((E)-3-(4-Hydroxy-2-methoxy-phenyl)-1-(4-hydroxy-ph...) Show SMILES COc1cc(O)ccc1\C=C\C(=O)c1ccc(O)cc1 Show InChI InChI=1S/C16H14O4/c1-20-16-10-14(18)8-4-12(16)5-9-15(19)11-2-6-13(17)7-3-11/h2-10,17-18H,1H3/b9-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
CHA University Curated by ChEMBL					Assay Description Inhibition of cathepsin B (unknown origin) using RR-AMC as substrate after 30 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3320-4 (2013) Article DOI: 10.1016/j.bmcl.2013.03.106 BindingDB Entry DOI: 10.7270/Q2PN98J8
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM110191 (3-(2,4-Dihydroxyphenyl)-1-(thiophen-2-yl)propenone...) Show SMILES Oc1ccc(\C=C\C(=O)c2cccs2)c(O)c1 Show InChI InChI=1S/C13H10O3S/c14-10-5-3-9(12(16)8-10)4-6-11(15)13-2-1-7-17-13/h1-8,14,16H/b6-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.02E+4	n/a	n/a	n/a	n/a	7.5	25
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of m-calpain was assayed in the reaction buffer (50 mM Tris-HCl, 100 mM NaCl, 5 mM β-mercaptoethanol, and 1 mM EDTA, pH 7.5) with 50 ...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM110190 (1-(2,4-Dihydroxyphenyl)-3-(furan-2-yl)propenone (1...) Show SMILES Oc1ccc(C(=O)\C=C\c2ccco2)c(O)c1 Show InChI InChI=1S/C13H10O4/c14-9-3-5-11(13(16)8-9)12(15)6-4-10-2-1-7-17-10/h1-8,14,16H/b6-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.06E+4	n/a	n/a	n/a	n/a	5.5	37
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of cathepsin B was assayed in reaction buffer (50 mM NaOAc-HCl, 2 mM dithiothreitol, 2 mM EDTA, pH 5.5) containing 20 µM substrate an...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50491482 (CHEMBL2382055) Show SMILES COc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1Br Show InChI InChI=1S/C16H13BrO4/c1-21-16-7-3-10(8-13(16)17)2-6-14(19)12-5-4-11(18)9-15(12)20/h2-9,18,20H,1H3/b6-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
CHA University Curated by ChEMBL					Assay Description Inhibition of cathepsin L (unknown origin) using Z-FR-AMC as substrate after 30 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3320-4 (2013) Article DOI: 10.1016/j.bmcl.2013.03.106 BindingDB Entry DOI: 10.7270/Q2PN98J8
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50491469 (CHEMBL2382112) Show SMILES COc1cc(O)ccc1\C=C\C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C16H13FO3/c1-20-16-10-14(18)8-4-12(16)5-9-15(19)11-2-6-13(17)7-3-11/h2-10,18H,1H3/b9-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
CHA University Curated by ChEMBL					Assay Description Inhibition of cathepsin L (unknown origin) using Z-FR-AMC as substrate after 30 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3320-4 (2013) Article DOI: 10.1016/j.bmcl.2013.03.106 BindingDB Entry DOI: 10.7270/Q2PN98J8
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50491468 (CHEMBL2382114) Show SMILES COc1cc(O)ccc1\C=C\C(=O)c1ccc(N)cc1 Show InChI InChI=1S/C16H15NO3/c1-20-16-10-14(18)8-4-12(16)5-9-15(19)11-2-6-13(17)7-3-11/h2-10,18H,17H2,1H3/b9-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
CHA University Curated by ChEMBL					Assay Description Inhibition of cathepsin B (unknown origin) using RR-AMC as substrate after 30 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3320-4 (2013) Article DOI: 10.1016/j.bmcl.2013.03.106 BindingDB Entry DOI: 10.7270/Q2PN98J8
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM110194 (1-(3,5-Dihydroxyphenyl)-3-(furan-2-yl)propenone (2...) Show SMILES Oc1cc(O)cc(c1)C(=O)\C=C\c1ccco1 Show InChI InChI=1S/C13H10O4/c14-10-6-9(7-11(15)8-10)13(16)4-3-12-2-1-5-17-12/h1-8,14-15H/b4-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.46E+4	n/a	n/a	n/a	n/a	5.5	37
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of cathepsin B was assayed in reaction buffer (50 mM NaOAc-HCl, 2 mM dithiothreitol, 2 mM EDTA, pH 5.5) containing 20 µM substrate an...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM110190 (1-(2,4-Dihydroxyphenyl)-3-(furan-2-yl)propenone (1...) Show SMILES Oc1ccc(C(=O)\C=C\c2ccco2)c(O)c1 Show InChI InChI=1S/C13H10O4/c14-9-3-5-11(13(16)8-9)12(15)6-4-10-2-1-7-17-10/h1-8,14,16H/b6-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.67E+4	n/a	n/a	n/a	n/a	7.5	25
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of µ-calpain was assayed in the reaction buffer (50 mM Tris-HCl, 50 mM NaCl, 1 mM EDTA, 1 mM EGTA and 5 mM β-mercaptoethanol, pH...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM110190 (1-(2,4-Dihydroxyphenyl)-3-(furan-2-yl)propenone (1...) Show SMILES Oc1ccc(C(=O)\C=C\c2ccco2)c(O)c1 Show InChI InChI=1S/C13H10O4/c14-9-3-5-11(13(16)8-9)12(15)6-4-10-2-1-7-17-10/h1-8,14,16H/b6-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.05E+4	n/a	n/a	n/a	n/a	5.5	37
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of cathepsin L was assayed in reaction buffer (0.1M NaOAc-HCl, 1 mM EDTA, 0.1% β-mercaptoethanol, pH 5.5) containing 20 µM subst...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50491479 (CHEMBL2382115) Show SMILES COc1cc(O)ccc1C(=O)\C=C\c1ccc(F)cc1 Show InChI InChI=1S/C16H13FO3/c1-20-16-10-13(18)7-8-14(16)15(19)9-4-11-2-5-12(17)6-3-11/h2-10,18H,1H3/b9-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
CHA University Curated by ChEMBL					Assay Description Inhibition of cathepsin L (unknown origin) using Z-FR-AMC as substrate after 30 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3320-4 (2013) Article DOI: 10.1016/j.bmcl.2013.03.106 BindingDB Entry DOI: 10.7270/Q2PN98J8
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50491469 (CHEMBL2382112) Show SMILES COc1cc(O)ccc1\C=C\C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C16H13FO3/c1-20-16-10-14(18)8-4-12(16)5-9-15(19)11-2-6-13(17)7-3-11/h2-10,18H,1H3/b9-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
CHA University Curated by ChEMBL					Assay Description Inhibition of cathepsin B (unknown origin) using RR-AMC as substrate after 30 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3320-4 (2013) Article DOI: 10.1016/j.bmcl.2013.03.106 BindingDB Entry DOI: 10.7270/Q2PN98J8
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM110196 (1-(3,5-Dihydroxyphenyl)-3-(thiophen-3-yl)propenone...) Show SMILES Oc1cc(O)cc(c1)C(=O)\C=C\c1ccsc1 Show InChI InChI=1S/C13H10O3S/c14-11-5-10(6-12(15)7-11)13(16)2-1-9-3-4-17-8-9/h1-8,14-15H/b2-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.73E+4	n/a	n/a	n/a	n/a	7.5	25
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of m-calpain was assayed in the reaction buffer (50 mM Tris-HCl, 100 mM NaCl, 5 mM β-mercaptoethanol, and 1 mM EDTA, pH 7.5) with 50 ...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50491466 (CHEMBL2148111) Show SMILES COc1ccc(C(=O)\C=C\c2ccc(F)cc2)c(O)c1 Show InChI InChI=1S/C16H13FO3/c1-20-13-7-8-14(16(19)10-13)15(18)9-4-11-2-5-12(17)6-3-11/h2-10,19H,1H3/b9-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
CHA University Curated by ChEMBL					Assay Description Inhibition of cathepsin L (unknown origin) using Z-FR-AMC as substrate after 30 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3320-4 (2013) Article DOI: 10.1016/j.bmcl.2013.03.106 BindingDB Entry DOI: 10.7270/Q2PN98J8
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM16509 ((2S)-1-[(2S,3S)-3-methyl-2-{[(2S,3S)-3-(propylcarb...) Show SMILES [H][C@@]1(O[C@]1([H])C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(O)=O)C(=O)NCCC |r| Show InChI InChI=1S/C18H29N3O6/c1-4-8-19-15(22)13-14(27-13)16(23)20-12(10(3)5-2)17(24)21-9-6-7-11(21)18(25)26/h10-14H,4-9H2,1-3H3,(H,19,22)(H,20,23)(H,25,26)/t10-,11-,12-,13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	25
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of µ-calpain was assayed in the reaction buffer (50 mM Tris-HCl, 50 mM NaCl, 1 mM EDTA, 1 mM EGTA and 5 mM β-mercaptoethanol, pH...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM110186 (1-(2,4-Dihydroxyphenyl)-3-(pyridin-4-yl)propenone ...) Show SMILES Oc1ccc(C(=O)\C=C\c2ccncc2)c(O)c1 Show InChI InChI=1S/C14H11NO3/c16-11-2-3-12(14(18)9-11)13(17)4-1-10-5-7-15-8-6-10/h1-9,16,18H/b4-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	25
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of µ-calpain was assayed in the reaction buffer (50 mM Tris-HCl, 50 mM NaCl, 1 mM EDTA, 1 mM EGTA and 5 mM β-mercaptoethanol, pH...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
					More data for this Ligand-Target Pair

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