Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'squadrito' and Initial = 'f'   

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	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Federico II Curated by ChEMBL					Assay Description Competitive inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured for 10 mins by fluor...				Eur J Med Chem 121: 578-591 (2016) Article DOI: 10.1016/j.ejmech.2016.05.049 BindingDB Entry DOI: 10.7270/Q28C9Z6K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50195937 (CHEMBL3919583) Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C24H37N3O7/c1-15(2)11-18(21(29)26-20(13-28)23(31)33-5)25-22(30)19(12-16(3)4)27-24(32)34-14-17-9-7-6-8-10-17/h6-10,15-16,18-20,28H,11-14H2,1-5H3,(H,25,30)(H,26,29)(H,27,32)/t18-,19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Federico II Curated by ChEMBL					Assay Description Competitive inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured for 10 mins by fluor...				Eur J Med Chem 121: 578-591 (2016) Article DOI: 10.1016/j.ejmech.2016.05.049 BindingDB Entry DOI: 10.7270/Q28C9Z6K
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50195935 (CHEMBL3929092) Show SMILES CN\C(NS(=O)(=O)c1ccccc1)=N/CCSCc1ccc2ccccc2n1 Show InChI InChI=1S/C20H22N4O2S2/c1-21-20(24-28(25,26)18-8-3-2-4-9-18)22-13-14-27-15-17-12-11-16-7-5-6-10-19(16)23-17/h2-12H,13-15H2,1H3,(H2,21,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Federico II Curated by ChEMBL					Assay Description Competitive inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured for 10 mins by fluor...				Eur J Med Chem 121: 578-591 (2016) Article DOI: 10.1016/j.ejmech.2016.05.049 BindingDB Entry DOI: 10.7270/Q28C9Z6K
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50195934 (CHEMBL3977256) Show SMILES CC(C)CC(NC(=O)C(CO)NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C26H34N4O7/c1-16(2)12-21(24(34)28-20(23(27)33)13-17-8-10-19(32)11-9-17)29-25(35)22(14-31)30-26(36)37-15-18-6-4-3-5-7-18/h3-11,16,20-22,31-32H,12-15H2,1-2H3,(H2,27,33)(H,28,34)(H,29,35)(H,30,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Federico II Curated by ChEMBL					Assay Description Competitive inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured for 10 mins by fluor...				Eur J Med Chem 121: 578-591 (2016) Article DOI: 10.1016/j.ejmech.2016.05.049 BindingDB Entry DOI: 10.7270/Q28C9Z6K
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50195936 (CHEMBL3612420) Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C27H35N3O8/c1-17(2)13-21(24(33)29-22(26(35)37-3)14-18-9-11-20(32)12-10-18)28-25(34)23(15-31)30-27(36)38-16-19-7-5-4-6-8-19/h4-12,17,21-23,31-32H,13-16H2,1-3H3,(H,28,34)(H,29,33)(H,30,36)/t21-,22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Federico II Curated by ChEMBL					Assay Description Competitive inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured for 10 mins by fluor...				Eur J Med Chem 121: 578-591 (2016) Article DOI: 10.1016/j.ejmech.2016.05.049 BindingDB Entry DOI: 10.7270/Q28C9Z6K
					More data for this Ligand-Target Pair
Proteasome subunit beta type-1 (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	5.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Federico II Curated by ChEMBL					Assay Description Competitive inhibition of post-glutamyl peptide hydrolyzing activity of human 20S proteasome using Cbz-Leu-Leu-Glu-AMC as substrate measured for 10 m...				Eur J Med Chem 121: 578-591 (2016) Article DOI: 10.1016/j.ejmech.2016.05.049 BindingDB Entry DOI: 10.7270/Q28C9Z6K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proteasome subunit beta type-1 (Homo sapiens (Human))	BDBM50195934 (CHEMBL3977256) Show SMILES CC(C)CC(NC(=O)C(CO)NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C26H34N4O7/c1-16(2)12-21(24(34)28-20(23(27)33)13-17-8-10-19(32)11-9-17)29-25(35)22(14-31)30-26(36)37-15-18-6-4-3-5-7-18/h3-11,16,20-22,31-32H,12-15H2,1-2H3,(H2,27,33)(H,28,34)(H,29,35)(H,30,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Federico II Curated by ChEMBL					Assay Description Competitive inhibition of post-glutamyl peptide hydrolyzing activity of human 20S proteasome using Cbz-Leu-Leu-Glu-AMC as substrate measured for 10 m...				Eur J Med Chem 121: 578-591 (2016) Article DOI: 10.1016/j.ejmech.2016.05.049 BindingDB Entry DOI: 10.7270/Q28C9Z6K
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50195933 (CHEMBL3612421) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C27H35N3O7/c1-18(2)14-22(26(34)36-3)29-24(32)21(15-19-10-6-4-7-11-19)28-25(33)23(16-31)30-27(35)37-17-20-12-8-5-9-13-20/h4-13,18,21-23,31H,14-17H2,1-3H3,(H,28,33)(H,29,32)(H,30,35)/t21-,22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Federico II Curated by ChEMBL					Assay Description Competitive inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured for 10 mins by fluor...				Eur J Med Chem 121: 578-591 (2016) Article DOI: 10.1016/j.ejmech.2016.05.049 BindingDB Entry DOI: 10.7270/Q28C9Z6K
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50195938 (CHEMBL3961750) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NN |r| Show InChI InChI=1S/C26H35N5O7/c1-16(2)12-20(23(34)29-21(25(36)31-27)13-17-8-10-19(33)11-9-17)28-24(35)22(14-32)30-26(37)38-15-18-6-4-3-5-7-18/h3-11,16,20-22,32-33H,12-15,27H2,1-2H3,(H,28,35)(H,29,34)(H,30,37)(H,31,36)/t20-,21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Federico II Curated by ChEMBL					Assay Description Competitive inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured for 10 mins by fluor...				Eur J Med Chem 121: 578-591 (2016) Article DOI: 10.1016/j.ejmech.2016.05.049 BindingDB Entry DOI: 10.7270/Q28C9Z6K
					More data for this Ligand-Target Pair
Proteasome subunit beta type-2 (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	2.21E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Federico II Curated by ChEMBL					Assay Description Competitive inhibition of trypsin-like activity of human 20S proteasome using Boc-Leu-Arg-Arg-AMC as substrate measured for 10 mins by fluorescence a...				Eur J Med Chem 121: 578-591 (2016) Article DOI: 10.1016/j.ejmech.2016.05.049 BindingDB Entry DOI: 10.7270/Q28C9Z6K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proteasome subunit beta type-1 (Homo sapiens (Human))	BDBM50195936 (CHEMBL3612420) Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C27H35N3O8/c1-17(2)13-21(24(33)29-22(26(35)37-3)14-18-9-11-20(32)12-10-18)28-25(34)23(15-31)30-27(36)38-16-19-7-5-4-6-8-19/h4-12,17,21-23,31-32H,13-16H2,1-3H3,(H,28,34)(H,29,33)(H,30,36)/t21-,22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.13E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Federico II Curated by ChEMBL					Assay Description Competitive inhibition of post-glutamyl peptide hydrolyzing activity of human 20S proteasome using Cbz-Leu-Leu-Glu-AMC as substrate measured for 10 m...				Eur J Med Chem 121: 578-591 (2016) Article DOI: 10.1016/j.ejmech.2016.05.049 BindingDB Entry DOI: 10.7270/Q28C9Z6K
					More data for this Ligand-Target Pair