Compile Data Set for Download or QSAR

Found 37 hits of ic50 for UniProtKB: P17655   

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
Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM50358153 (CHEMBL1921830) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCC[C@H](NC1=O)C=O)cc2)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C29H37N3O6/c1-20(2)16-25-27(34)30-23(18-33)10-6-7-15-37-24-13-11-21(12-14-24)17-26(28(35)31-25)32-29(36)38-19-22-8-4-3-5-9-22/h3-5,8-9,11-14,18,20,23,25-26H,6-7,10,15-17,19H2,1-2H3,(H,30,34)(H,31,35)(H,32,36)/t23-,25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Inhibition of calpain-2 (unknown origin)				Bioorg Med Chem Lett 29: 396-399 (2019) Article DOI: 10.1016/j.bmcl.2018.12.032 BindingDB Entry DOI: 10.7270/Q2RF5ZDS
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM50358153 (CHEMBL1921830) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCC[C@H](NC1=O)C=O)cc2)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C29H37N3O6/c1-20(2)16-25-27(34)30-23(18-33)10-6-7-15-37-24-13-11-21(12-14-24)17-26(28(35)31-25)32-29(36)38-19-22-8-4-3-5-9-22/h3-5,8-9,11-14,18,20,23,25-26H,6-7,10,15-17,19H2,1-2H3,(H,30,34)(H,31,35)(H,32,36)/t23-,25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Canterbury Curated by ChEMBL					Assay Description Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis				J Med Chem 54: 7503-22 (2011) Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM50284777 (CHEMBL36969 | Z-Phe-Tyr(Bu)-H) Show SMILES CCCCOc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C30H34N2O6/c1-2-3-18-37-25-16-14-23(15-17-25)20-27(29(34)35)31-28(33)26(19-22-10-6-4-7-11-22)32-30(36)38-21-24-12-8-5-9-13-24/h4-17,26-27H,2-3,18-21H2,1H3,(H,31,33)(H,32,36)(H,34,35)/t26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against calpain 2				Bioorg Med Chem Lett 5: 1501-1504 (1995) Article DOI: 10.1016/0960-894X(95)00236-M BindingDB Entry DOI: 10.7270/Q23N23V9
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM50358152 (CHEMBL1921829) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCC[C@H](NC1=O)C=O)cc2)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C28H35N3O6/c1-19(2)25-27(34)29-22(17-32)10-6-7-15-36-23-13-11-20(12-14-23)16-24(26(33)31-25)30-28(35)37-18-21-8-4-3-5-9-21/h3-5,8-9,11-14,17,19,22,24-25H,6-7,10,15-16,18H2,1-2H3,(H,29,34)(H,30,35)(H,31,33)/t22-,24-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
University of Canterbury Curated by ChEMBL					Assay Description Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis				J Med Chem 54: 7503-22 (2011) Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4
					More data for this Ligand-Target Pair
Calpain-1/Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM50536838 (CHEMBL4520267) Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12 |r| Show InChI InChI=1S/C23H21FN2O3/c24-14-18(27)15-25-23(29)21(13-16-7-2-1-3-8-16)26-22(28)20-12-6-10-17-9-4-5-11-19(17)20/h1-12,21H,13-15H2,(H,25,29)(H,26,28)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development Curated by ChEMBL					Assay Description Inhibition of calpain (unknown origin) using calpain substrate preincubated for 20 mins followed by substrate addition by fluorescence plate reader a...				ACS Med Chem Lett 7: 802-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00208 BindingDB Entry DOI: 10.7270/Q2QF8XCR
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM50284776 (CHEMBL36904 | Z-Phe-Tyr(Me)-H) Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C27H28N2O6/c1-34-22-14-12-20(13-15-22)17-24(26(31)32)28-25(30)23(16-19-8-4-2-5-9-19)29-27(33)35-18-21-10-6-3-7-11-21/h2-15,23-24H,16-18H2,1H3,(H,28,30)(H,29,33)(H,31,32)/t23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against calpain 2				Bioorg Med Chem Lett 5: 1501-1504 (1995) Article DOI: 10.1016/0960-894X(95)00236-M BindingDB Entry DOI: 10.7270/Q23N23V9
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM50284780 (CHEMBL36801 | Z-Phe-Phe-H) Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C26H26N2O5/c29-24(27-23(25(30)31)17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)28-26(32)33-18-21-14-8-3-9-15-21/h1-15,22-23H,16-18H2,(H,27,29)(H,28,32)(H,30,31)/t22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against Calpain 2				Bioorg Med Chem Lett 5: 1501-1504 (1995) Article DOI: 10.1016/0960-894X(95)00236-M BindingDB Entry DOI: 10.7270/Q23N23V9
					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-2 catalytic subunit (Homo sapiens (Human))	BDBM50358155 (CHEMBL1921832) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCCC[C@H](NC1=O)C=O)cc2)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C30H39N3O6/c1-21(2)17-26-28(35)31-24(19-34)11-7-4-8-16-38-25-14-12-22(13-15-25)18-27(29(36)32-26)33-30(37)39-20-23-9-5-3-6-10-23/h3,5-6,9-10,12-15,19,21,24,26-27H,4,7-8,11,16-18,20H2,1-2H3,(H,31,35)(H,32,36)(H,33,37)/t24-,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
University of Canterbury Curated by ChEMBL					Assay Description Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis				J Med Chem 54: 7503-22 (2011) Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM50084650 (CHEMBL177914 | {(S)-1-[(S)-1-Formyl-2-(4-hydroxy-p...) Show SMILES Oc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C=O)cc1 Show InChI InChI=1S/C26H26N2O5/c29-17-22(15-20-11-13-23(30)14-12-20)27-25(31)24(16-19-7-3-1-4-8-19)28-26(32)33-18-21-9-5-2-6-10-21/h1-14,17,22,24,30H,15-16,18H2,(H,27,31)(H,28,32)/t22-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	184	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibitory activity against Calpain 2				J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM50284779 (CHEMBL36146 | Z-Phe-Tyr-H) Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C26H26N2O6/c29-21-13-11-19(12-14-21)16-23(25(31)32)27-24(30)22(15-18-7-3-1-4-8-18)28-26(33)34-17-20-9-5-2-6-10-20/h1-14,22-23,29H,15-17H2,(H,27,30)(H,28,33)(H,31,32)/t22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	184	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against calpain 2				Bioorg Med Chem Lett 5: 1501-1504 (1995) Article DOI: 10.1016/0960-894X(95)00236-M BindingDB Entry DOI: 10.7270/Q23N23V9
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM50358148 (CHEMBL1921825) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCC[C@H](NC1=O)C=O)cc2)NS(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H32FN3O6S/c1-17(2)24-26(33)28-20(16-31)5-3-4-14-36-21-10-6-18(7-11-21)15-23(25(32)29-24)30-37(34,35)22-12-8-19(27)9-13-22/h6-13,16-17,20,23-24,30H,3-5,14-15H2,1-2H3,(H,28,33)(H,29,32)/t20-,23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
University of Canterbury Curated by ChEMBL					Assay Description Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis				J Med Chem 54: 7503-22 (2011) Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM50358157 (CHEMBL1921834) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCCSC[C@H](NC1=O)C=O)cc2)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C29H37N3O6S/c1-20(2)26-28(35)30-23(17-33)19-39-15-7-6-14-37-24-12-10-21(11-13-24)16-25(27(34)32-26)31-29(36)38-18-22-8-4-3-5-9-22/h3-5,8-13,17,20,23,25-26H,6-7,14-16,18-19H2,1-2H3,(H,30,35)(H,31,36)(H,32,34)/t23-,25+,26+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	295	n/a	n/a	n/a	n/a	n/a	n/a
University of Canterbury Curated by ChEMBL					Assay Description Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis				J Med Chem 54: 7503-22 (2011) Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4
					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
Calpain-1/Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM50536839 (CHEMBL2402203 | acs.jmedchem.1c00409_ST.724) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF |r| Show InChI InChI=1S/C21H23FN2O4/c1-15(19(25)13-22)23-20(26)18(12-16-8-4-2-5-9-16)24-21(27)28-14-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3,(H,23,26)(H,24,27)/t15-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development Curated by ChEMBL					Assay Description Inhibition of calpain (unknown origin) using calpain substrate preincubated for 20 mins followed by substrate addition by fluorescence plate reader a...				ACS Med Chem Lett 7: 802-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00208 BindingDB Entry DOI: 10.7270/Q2QF8XCR
					More data for this Ligand-Target Pair
Calpain-1/Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM50536834 (CHEMBL4590201) Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H19FN2O3/c20-12-16(23)13-21-19(25)17(11-14-7-3-1-4-8-14)22-18(24)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,21,25)(H,22,24)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development Curated by ChEMBL					Assay Description Inhibition of calpain (unknown origin) using calpain substrate preincubated for 20 mins followed by substrate addition by fluorescence plate reader a...				ACS Med Chem Lett 7: 802-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00208 BindingDB Entry DOI: 10.7270/Q2QF8XCR
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM50358154 (CHEMBL1921831) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCC[C@@H](CO)NC1=O)cc2)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C29H39N3O6/c1-20(2)16-25-27(34)30-23(18-33)10-6-7-15-37-24-13-11-21(12-14-24)17-26(28(35)31-25)32-29(36)38-19-22-8-4-3-5-9-22/h3-5,8-9,11-14,20,23,25-26,33H,6-7,10,15-19H2,1-2H3,(H,30,34)(H,31,35)(H,32,36)/t23-,25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
University of Canterbury Curated by ChEMBL					Assay Description Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis				J Med Chem 54: 7503-22 (2011) Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM50358150 (CHEMBL1921827) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCC[C@H](NC1=O)C=O)cc2)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C28H35N3O6/c1-19(2)15-24-26(33)29-22(17-32)9-6-14-36-23-12-10-20(11-13-23)16-25(27(34)30-24)31-28(35)37-18-21-7-4-3-5-8-21/h3-5,7-8,10-13,17,19,22,24-25H,6,9,14-16,18H2,1-2H3,(H,29,33)(H,30,34)(H,31,35)/t22-,24-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
University of Canterbury Curated by ChEMBL					Assay Description Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis				J Med Chem 54: 7503-22 (2011) Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM50358158 (CHEMBL1921835) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCCSC[C@H](NC1=O)C=O)cc2)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C30H39N3O6S/c1-21(2)16-26-28(35)31-24(18-34)20-40-15-7-6-14-38-25-12-10-22(11-13-25)17-27(29(36)32-26)33-30(37)39-19-23-8-4-3-5-9-23/h3-5,8-13,18,21,24,26-27H,6-7,14-17,19-20H2,1-2H3,(H,31,35)(H,32,36)(H,33,37)/t24-,26+,27+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Canterbury Curated by ChEMBL					Assay Description Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis				J Med Chem 54: 7503-22 (2011) Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM50358156 (CHEMBL1921833) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCCC[C@@H](CO)NC1=O)cc2)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C30H41N3O6/c1-21(2)17-26-28(35)31-24(19-34)11-7-4-8-16-38-25-14-12-22(13-15-25)18-27(29(36)32-26)33-30(37)39-20-23-9-5-3-6-10-23/h3,5-6,9-10,12-15,21,24,26-27,34H,4,7-8,11,16-20H2,1-2H3,(H,31,35)(H,32,36)(H,33,37)/t24-,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Canterbury Curated by ChEMBL					Assay Description Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis				J Med Chem 54: 7503-22 (2011) Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM50358149 (CHEMBL1921826) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCCSC[C@H](NC1=O)C=O)cc2)NS(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H34FN3O6S2/c1-18(2)25-27(34)29-21(16-32)17-38-14-4-3-13-37-22-9-5-19(6-10-22)15-24(26(33)30-25)31-39(35,36)23-11-7-20(28)8-12-23/h5-12,16,18,21,24-25,31H,3-4,13-15,17H2,1-2H3,(H,29,34)(H,30,33)/t21-,24+,25+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Canterbury Curated by ChEMBL					Assay Description Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis				J Med Chem 54: 7503-22 (2011) Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM50358147 (CHEMBL1921824) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCC[C@H](NC1=O)C=O)cc2)NS(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H30FN3O6S/c1-16(2)23-25(32)27-19(15-30)4-3-13-35-20-9-5-17(6-10-20)14-22(24(31)28-23)29-36(33,34)21-11-7-18(26)8-12-21/h5-12,15-16,19,22-23,29H,3-4,13-14H2,1-2H3,(H,27,32)(H,28,31)/t19-,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Canterbury Curated by ChEMBL					Assay Description Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis				J Med Chem 54: 7503-22 (2011) Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4
					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
Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM50358159 (CHEMBL1921836) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCCSC[C@@H](CO)NC1=O)cc2)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C30H41N3O6S/c1-21(2)16-26-28(35)31-24(18-34)20-40-15-7-6-14-38-25-12-10-22(11-13-25)17-27(29(36)32-26)33-30(37)39-19-23-8-4-3-5-9-23/h3-5,8-13,21,24,26-27,34H,6-7,14-20H2,1-2H3,(H,31,35)(H,32,36)(H,33,37)/t24-,26+,27+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Canterbury Curated by ChEMBL					Assay Description Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis				J Med Chem 54: 7503-22 (2011) Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM50358151 (CHEMBL1921828) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCC[C@@H](CO)NC1=O)cc2)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C28H37N3O6/c1-19(2)15-24-26(33)29-22(17-32)9-6-14-36-23-12-10-20(11-13-23)16-25(27(34)30-24)31-28(35)37-18-21-7-4-3-5-8-21/h3-5,7-8,10-13,19,22,24-25,32H,6,9,14-18H2,1-2H3,(H,29,33)(H,30,34)(H,31,35)/t22-,24-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Canterbury Curated by ChEMBL					Assay Description Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis				J Med Chem 54: 7503-22 (2011) Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4
					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
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
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
Calpain-2 catalytic subunit (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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-2 catalytic subunit (Homo sapiens (Human))	BDBM110188 (1-(2,4-Dihydroxyphenyl)-3-(pyridin-2-yl)propenone ...) Show SMILES Oc1ccc(C(=O)\C=C\c2ccccn2)c(O)c1 Show InChI InChI=1S/C14H11NO3/c16-11-5-6-12(14(18)9-11)13(17)7-4-10-3-1-2-8-15-10/h1-9,16,18H/b7-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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 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-2 catalytic subunit (Homo sapiens (Human))	BDBM110187 (1-(2,4-Dihydroxyphenyl)-3-(pyridin-3-yl)propenone ...) Show SMILES Oc1ccc(C(=O)\C=C\c2cccnc2)c(O)c1 Show InChI InChI=1S/C14H11NO3/c16-11-4-5-12(14(18)8-11)13(17)6-3-10-2-1-7-15-9-10/h1-9,16,18H/b6-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase 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 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-2 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 KEGG UniProtKB/SwissProt B.MOAD 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 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-2 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 KEGG UniProtKB/SwissProt B.MOAD 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 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-2 catalytic subunit (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG 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 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-2 catalytic subunit (Homo sapiens (Human))	BDBM110195 (1-(3,5-Dihydroxyphenyl)-3-phenylpropenone (22)) Show SMILES Oc1cc(O)cc(c1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C15H12O3/c16-13-8-12(9-14(17)10-13)15(18)7-6-11-4-2-1-3-5-11/h1-10,16-17H/b7-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase 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 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-2 catalytic subunit (Homo sapiens (Human))	BDBM110193 (1-(3,5-Dihydroxyphenyl)-3-(thiophen-2-yl)propenone...) Show SMILES Oc1cc(O)cc(c1)C(=O)\C=C\c1cccs1 Show InChI InChI=1S/C13H10O3S/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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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 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-2 catalytic subunit (Homo sapiens (Human))	BDBM110197 (1-(3,5-Dihydroxyphenyl)-3-(furan-3-yl)propenone (2...) Show SMILES Oc1cc(O)cc(c1)C(=O)\C=C\c1ccoc1 Show InChI InChI=1S/C13H10O4/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	PC cid PC sid UniChem	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 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