Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50007342   

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 (Bos taurus (bovine))	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Alcalá Curated by ChEMBL					Assay Description Inhibitory concentration of the compounds against Bovine trypsin enzyme.				J Med Chem 40: 4136-45 (1998) Article DOI: 10.1021/jm970245v BindingDB Entry DOI: 10.7270/Q2JM28S5
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Alcalá Curated by ChEMBL					Assay Description Inhibitory concentration of the compounds against Bovine trypsin enzyme.				J Med Chem 40: 4136-45 (1998) Article DOI: 10.1021/jm970245v BindingDB Entry DOI: 10.7270/Q2JM28S5
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Alcalá Curated by ChEMBL					Assay Description Inhibitory concentration of the compounds against Bovine trypsin enzyme.				J Med Chem 40: 4136-45 (1998) Article DOI: 10.1021/jm970245v BindingDB Entry DOI: 10.7270/Q2JM28S5
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM7462 (3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.06E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Alcalá Curated by ChEMBL					Assay Description Inhibitory concentration of the compounds against Bovine trypsin enzyme.				J Med Chem 40: 4136-45 (1998) Article DOI: 10.1021/jm970245v BindingDB Entry DOI: 10.7270/Q2JM28S5
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM26658 (2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopy...) Show SMILES Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.11E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Alcalá Curated by ChEMBL					Assay Description Inhibitory concentration of the compounds against Bovine trypsin enzyme.				J Med Chem 40: 4136-45 (1998) Article DOI: 10.1021/jm970245v BindingDB Entry DOI: 10.7270/Q2JM28S5
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.42E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Alcalá Curated by ChEMBL					Assay Description Inhibitory concentration of the compounds against Bovine trypsin enzyme.				J Med Chem 40: 4136-45 (1998) Article DOI: 10.1021/jm970245v BindingDB Entry DOI: 10.7270/Q2JM28S5
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50061554 ((+)-Silychristin | (2R,3R)-3,5,7-Trihydroxy-2-[(2R...) Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(O)C2=O)[C@H]1CO |r| Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,21,23-24,26-31H,9H2,1H3/t14-,21?,23+,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.44E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Alcalá Curated by ChEMBL					Assay Description Inhibitory concentration of the compounds against Bovine trypsin enzyme.				J Med Chem 40: 4136-45 (1998) Article DOI: 10.1021/jm970245v BindingDB Entry DOI: 10.7270/Q2JM28S5
					More data for this Ligand-Target Pair