Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 838   

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
Serine protease 1 (Homo sapiens (Human))	BDBM294039 (Process 1 | US10106557, Compound 1) Show SMILES Oc1cc(ccc1NC(=O)OCc1ccccc1)N1CCOCC1=O Show InChI InChI=1S/C18H18N2O5/c21-16-10-14(20-8-9-24-12-17(20)22)6-7-15(16)19-18(23)25-11-13-4-2-1-3-5-13/h1-7,10,21H,8-9,11-12H2,(H,19,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	8.2	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The inhibitory activity on human trypsin was determined by using buffer (50 mM Tris, pH 8.2, and 20 mM CaCl2). Appropriate wells in the Greiner 384 m...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50024354 (CHEMBL3330444 | US10106557, Compound 2) Show SMILES [H][C@@]12COc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCCCC1=O |r| Show InChI InChI=1S/C21H20ClN3O5S/c22-18-7-6-17(31-18)20(27)23-10-16-14-11-29-15-9-12(24-8-2-1-3-19(24)26)4-5-13(15)25(14)21(28)30-16/h4-7,9,14,16H,1-3,8,10-11H2,(H,23,27)/t14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	8.2	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The inhibitory activity on human trypsin was determined by using buffer (50 mM Tris, pH 8.2, and 20 mM CaCl2). Appropriate wells in the Greiner 384 m...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM294043 (US10106557, Compound 30) Show SMILES COC[C@H]1CCCN1c1ccc2N3[C@@H](COc2c1)[C@H](CNC(=O)c1ccc(Cl)s1)OC3=O |r| Show InChI InChI=1S/C22H24ClN3O5S/c1-29-11-14-3-2-8-25(14)13-4-5-15-17(9-13)30-12-16-18(31-22(28)26(15)16)10-24-21(27)19-6-7-20(23)32-19/h4-7,9,14,16,18H,2-3,8,10-12H2,1H3,(H,24,27)/t14-,16+,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	8.2	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The inhibitory activity on human trypsin was determined by using buffer (50 mM Tris, pH 8.2, and 20 mM CaCl2). Appropriate wells in the Greiner 384 m...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM294042 (US10106557, Compound 8) Show SMILES Clc1ccc(s1)C(=O)NC[C@@H]1OC(=O)N2[C@H]1COc1cc(ccc21)-n1ccccc1=O |r| Show InChI InChI=1S/C21H16ClN3O5S/c22-18-7-6-17(31-18)20(27)23-10-16-14-11-29-15-9-12(24-8-2-1-3-19(24)26)4-5-13(15)25(14)21(28)30-16/h1-9,14,16H,10-11H2,(H,23,27)/t14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	8.2	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The inhibitory activity on human trypsin was determined by using buffer (50 mM Tris, pH 8.2, and 20 mM CaCl2). Appropriate wells in the Greiner 384 m...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM294041 (US10106557, Compound 7) Show SMILES Clc1ccc(s1)C(=O)NC[C@@H]1OC(=O)N2[C@H]1COc1cc(ccc21)N1CCCNC1=O |r| Show InChI InChI=1S/C20H19ClN4O5S/c21-17-5-4-16(31-17)18(26)23-9-15-13-10-29-14-8-11(24-7-1-6-22-19(24)27)2-3-12(14)25(13)20(28)30-15/h2-5,8,13,15H,1,6-7,9-10H2,(H,22,27)(H,23,26)/t13-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	8.2	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The inhibitory activity on human trypsin was determined by using buffer (50 mM Tris, pH 8.2, and 20 mM CaCl2). Appropriate wells in the Greiner 384 m...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair