Compile Data Set for Download or QSAR

Found 8 hits of ic50 for UniProtKB: P07478   

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
Trypsin-2 (Homo sapiens (Human))	BDBM50067898 (3-(5-(dimethylamino)naphthalene-1-sulfonamido)phen...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1cccc(c1)B(O)O Show InChI InChI=1S/C18H19BN2O4S/c1-21(2)17-10-4-9-16-15(17)8-5-11-18(16)26(24,25)20-14-7-3-6-13(12-14)19(22)23/h3-12,20,22-23H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Medical School Curated by ChEMBL					Assay Description Compound was tested for its specificity against beta-trypsin				J Med Chem 41: 4577-86 (1998) Article DOI: 10.1021/jm980343w BindingDB Entry DOI: 10.7270/Q22N51FX
					More data for this Ligand-Target Pair
Trypsin-2 (Homo sapiens (Human))	BDBM50067888 ((3R)-tetrahydrofuran boronic acid | CHEMBL140723) Show SMILES OB(O)[C@@H]1CCOC1 Show InChI InChI=1S/C4H9BO3/c6-5(7)4-1-2-8-3-4/h4,6-7H,1-3H2/t4-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Medical School Curated by ChEMBL					Assay Description Compound was tested for its specificity against beta-trypsin				J Med Chem 41: 4577-86 (1998) Article DOI: 10.1021/jm980343w BindingDB Entry DOI: 10.7270/Q22N51FX
					More data for this Ligand-Target Pair
Trypsin-2 (Homo sapiens (Human))	BDBM50067887 (3-NITROPHENYLBORONIC ACID | 3-Nitro-phenyl-1-dihyd...) Show SMILES O[B-](=[OH+])c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C6H6BNO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-10H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Medical School Curated by ChEMBL					Assay Description Compound was tested for its specificity against beta-trypsin				J Med Chem 41: 4577-86 (1998) Article DOI: 10.1021/jm980343w BindingDB Entry DOI: 10.7270/Q22N51FX
					More data for this Ligand-Target Pair
Trypsin-2 (Homo sapiens (Human))	BDBM50067899 (2-Thiopheneboronicacid | CHEMBL141272 | Thiophene-...) Show SMILES OB(O)c1cccs1 Show InChI InChI=1S/C4H5BO2S/c6-5(7)4-2-1-3-8-4/h1-3,6-7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Medical School Curated by ChEMBL					Assay Description Compound was tested for its specificity against beta-trypsin				J Med Chem 41: 4577-86 (1998) Article DOI: 10.1021/jm980343w BindingDB Entry DOI: 10.7270/Q22N51FX
					More data for this Ligand-Target Pair
Trypsin-2 (Homo sapiens (Human))	BDBM26139 (1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...) Show SMILES OB(O)c1cc2ccccc2s1 Show InChI InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Medical School Curated by ChEMBL					Assay Description Compound was tested for its specificity against beta-trypsin				J Med Chem 41: 4577-86 (1998) Article DOI: 10.1021/jm980343w BindingDB Entry DOI: 10.7270/Q22N51FX
					More data for this Ligand-Target Pair
Trypsin-2 (Homo sapiens (Human))	BDBM26124 (CHEMBL336239 | Phenylboronic Acid, 3 | [3-(trifluo...) Show SMILES OB(O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C7H6BF3O2/c9-7(10,11)5-2-1-3-6(4-5)8(12)13/h1-4,12-13H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Medical School Curated by ChEMBL					Assay Description Compound was tested for its specificity against beta-trypsin				J Med Chem 41: 4577-86 (1998) Article DOI: 10.1021/jm980343w BindingDB Entry DOI: 10.7270/Q22N51FX
					More data for this Ligand-Target Pair
Trypsin-2 (Homo sapiens (Human))	BDBM50067891 (5-chlorothiophen-2-ylboronic acid | 5-chlorothiphe...) Show SMILES OB(O)c1ccc(Cl)s1 Show InChI InChI=1S/C4H4BClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2,7-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Medical School Curated by ChEMBL					Assay Description Compound was tested for its specificity against beta-trypsin				J Med Chem 41: 4577-86 (1998) Article DOI: 10.1021/jm980343w BindingDB Entry DOI: 10.7270/Q22N51FX
					More data for this Ligand-Target Pair
Trypsin-2 (Homo sapiens (Human))	BDBM26140 (1-benzofuran-2-ylboranediol | 1-benzofuran-2-ylbor...) Show SMILES OB(O)c1cc2ccccc2o1 Show InChI InChI=1S/C8H7BO3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Medical School Curated by ChEMBL					Assay Description Compound was tested for its specificity against beta-trypsin				J Med Chem 41: 4577-86 (1998) Article DOI: 10.1021/jm980343w BindingDB Entry DOI: 10.7270/Q22N51FX
					More data for this Ligand-Target Pair