Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'pehere' and Initial = 'ad'   

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
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50069985 ((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Adelaide Curated by ChEMBL					Assay Description Inhibition of chymotrypsin like activity of 26S proteasome beta 5 subunit (unknown origin) by fluorescence assay				Bioorg Med Chem 27: 436-441 (2019) Article DOI: 10.1016/j.bmc.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27P1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calpain-2 catalytic subunit (Sus scrofa)	BDBM50503849 (CHEMBL4590466) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C29H39N3O5/c1-20(2)15-24(18-33)30-27(34)25(16-21(3)4)31-28(35)26(17-22-11-7-5-8-12-22)32-29(36)37-19-23-13-9-6-10-14-23/h5-14,18,20-21,24-26H,15-17,19H2,1-4H3,(H,30,34)(H,31,35)(H,32,36)/t24-,25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Adelaide Curated by ChEMBL					Assay Description Inhibition of recombinant porcine calpain 2 protease using BODIPY-FL casein as substrate measured at 30 secs time interval for 30 mins by fluorescenc...				Bioorg Med Chem 27: 436-441 (2019) Article DOI: 10.1016/j.bmc.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27P1
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Sus scrofa)	BDBM50503846 (CHEMBL4540394) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O |r| Show InChI InChI=1S/C32H37N3O5/c1-23(2)18-28(30(37)33-27(21-36)19-24-12-6-3-7-13-24)34-31(38)29(20-25-14-8-4-9-15-25)35-32(39)40-22-26-16-10-5-11-17-26/h3-17,21,23,27-29H,18-20,22H2,1-2H3,(H,33,37)(H,34,38)(H,35,39)/t27-,28-,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
University of Adelaide Curated by ChEMBL					Assay Description Inhibition of recombinant porcine calpain 2 protease using BODIPY-FL casein as substrate measured at 30 secs time interval for 30 mins by fluorescenc...				Bioorg Med Chem 27: 436-441 (2019) Article DOI: 10.1016/j.bmc.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27P1
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Sus scrofa)	BDBM50503847 (CHEMBL4574306) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCC#C)cc1)C=O |r| Show InChI InChI=1S/C35H39N3O6/c1-4-19-43-30-17-15-27(16-18-30)21-29(23-39)36-33(40)31(20-25(2)3)37-34(41)32(22-26-11-7-5-8-12-26)38-35(42)44-24-28-13-9-6-10-14-28/h1,5-18,23,25,29,31-32H,19-22,24H2,2-3H3,(H,36,40)(H,37,41)(H,38,42)/t29-,31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
University of Adelaide Curated by ChEMBL					Assay Description Inhibition of recombinant porcine calpain 2 protease using BODIPY-FL casein as substrate measured at 30 secs time interval for 30 mins by fluorescenc...				Bioorg Med Chem 27: 436-441 (2019) Article DOI: 10.1016/j.bmc.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27P1
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50503849 (CHEMBL4590466) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C29H39N3O5/c1-20(2)15-24(18-33)30-27(34)25(16-21(3)4)31-28(35)26(17-22-11-7-5-8-12-22)32-29(36)37-19-23-13-9-6-10-14-23/h5-14,18,20-21,24-26H,15-17,19H2,1-4H3,(H,30,34)(H,31,35)(H,32,36)/t24-,25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	139	n/a	n/a	n/a	n/a	n/a	n/a
University of Adelaide Curated by ChEMBL					Assay Description Inhibition of chymotrypsin like activity of 26S proteasome beta 5 subunit (unknown origin) by fluorescence assay				Bioorg Med Chem 27: 436-441 (2019) Article DOI: 10.1016/j.bmc.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27P1
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Sus scrofa)	BDBM50503845 (CHEMBL4531762) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C23H35N3O6/c1-15(2)10-18(12-27)24-22(30)20(13-28)25-21(29)19(11-16(3)4)26-23(31)32-14-17-8-6-5-7-9-17/h5-9,12,15-16,18-20,28H,10-11,13-14H2,1-4H3,(H,24,30)(H,25,29)(H,26,31)/t18-,19-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
University of Adelaide Curated by ChEMBL					Assay Description Inhibition of recombinant porcine calpain 2 protease using BODIPY-FL casein as substrate measured at 30 secs time interval for 30 mins by fluorescenc...				Bioorg Med Chem 27: 436-441 (2019) Article DOI: 10.1016/j.bmc.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27P1
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50503847 (CHEMBL4574306) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCC#C)cc1)C=O |r| Show InChI InChI=1S/C35H39N3O6/c1-4-19-43-30-17-15-27(16-18-30)21-29(23-39)36-33(40)31(20-25(2)3)37-34(41)32(22-26-11-7-5-8-12-26)38-35(42)44-24-28-13-9-6-10-14-28/h1,5-18,23,25,29,31-32H,19-22,24H2,2-3H3,(H,36,40)(H,37,41)(H,38,42)/t29-,31-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	189	n/a	n/a	n/a	n/a	n/a	n/a
University of Adelaide Curated by ChEMBL					Assay Description Inhibition of chymotrypsin like activity of 26S proteasome beta 5 subunit (unknown origin) by fluorescence assay				Bioorg Med Chem 27: 436-441 (2019) Article DOI: 10.1016/j.bmc.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27P1
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50503848 (CHEMBL4475662) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C29H45N3O6/c1-18(2)13-22(25(33)29(7)17-38-29)30-26(34)23(14-19(3)4)31-27(35)24(15-20(5)6)32-28(36)37-16-21-11-9-8-10-12-21/h8-12,18-20,22-24H,13-17H2,1-7H3,(H,30,34)(H,31,35)(H,32,36)/t22-,23-,24-,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
University of Adelaide Curated by ChEMBL					Assay Description Inhibition of chymotrypsin like activity of 26S proteasome beta 5 subunit (unknown origin) by fluorescence assay				Bioorg Med Chem 27: 436-441 (2019) Article DOI: 10.1016/j.bmc.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27P1
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50503845 (CHEMBL4531762) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C23H35N3O6/c1-15(2)10-18(12-27)24-22(30)20(13-28)25-21(29)19(11-16(3)4)26-23(31)32-14-17-8-6-5-7-9-17/h5-9,12,15-16,18-20,28H,10-11,13-14H2,1-4H3,(H,24,30)(H,25,29)(H,26,31)/t18-,19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	269	n/a	n/a	n/a	n/a	n/a	n/a
University of Adelaide Curated by ChEMBL					Assay Description Inhibition of chymotrypsin like activity of 26S proteasome beta 5 subunit (unknown origin) by fluorescence assay				Bioorg Med Chem 27: 436-441 (2019) Article DOI: 10.1016/j.bmc.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27P1
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50503846 (CHEMBL4540394) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O |r| Show InChI InChI=1S/C32H37N3O5/c1-23(2)18-28(30(37)33-27(21-36)19-24-12-6-3-7-13-24)34-31(38)29(20-25-14-8-4-9-15-25)35-32(39)40-22-26-16-10-5-11-17-26/h3-17,21,23,27-29H,18-20,22H2,1-2H3,(H,33,37)(H,34,38)(H,35,39)/t27-,28-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	514	n/a	n/a	n/a	n/a	n/a	n/a
University of Adelaide Curated by ChEMBL					Assay Description Inhibition of chymotrypsin like activity of 26S proteasome beta 5 subunit (unknown origin) by fluorescence assay				Bioorg Med Chem 27: 436-441 (2019) Article DOI: 10.1016/j.bmc.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27P1
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Sus scrofa)	BDBM50503848 (CHEMBL4475662) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C29H45N3O6/c1-18(2)13-22(25(33)29(7)17-38-29)30-26(34)23(14-19(3)4)31-27(35)24(15-20(5)6)32-28(36)37-16-21-11-9-8-10-12-21/h8-12,18-20,22-24H,13-17H2,1-7H3,(H,30,34)(H,31,35)(H,32,36)/t22-,23-,24-,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Adelaide Curated by ChEMBL					Assay Description Inhibition of recombinant porcine calpain 2 protease using BODIPY-FL casein as substrate measured at 30 secs time interval for 30 mins by fluorescenc...				Bioorg Med Chem 27: 436-441 (2019) Article DOI: 10.1016/j.bmc.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27P1
					More data for this Ligand-Target Pair