Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 5783   

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
Cathepsin L2 (Homo sapiens (Human))	BDBM93444 (Flavonid, 6[3,1]) Show SMILES COc1ccc(cc1)-c1cc(=O)c2cc(F)ccc2o1 Show InChI InChI=1S/C16H11FO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	5.5	27
Universidade Federal de São Carlo					Assay Description Recombinant human cathepsin V was expressed and purified as described previously.				J Comb Chem 12: 687-95 (2010) Article DOI: 10.1021/cc100076k BindingDB Entry DOI: 10.7270/Q269726R
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM93438 (Flavonid, 6d) Show SMILES COc1ccc(c(OC)c1)-c1cc(=O)c2cc(Br)ccc2o1 Show InChI InChI=1S/C17H13BrO4/c1-20-11-4-5-12(16(8-11)21-2)17-9-14(19)13-7-10(18)3-6-15(13)22-17/h3-9H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	5.5	27
Universidade Federal de São Carlo					Assay Description Recombinant human cathepsin V was expressed and purified as described previously.				J Comb Chem 12: 687-95 (2010) Article DOI: 10.1021/cc100076k BindingDB Entry DOI: 10.7270/Q269726R
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM93445 (Flavonid, 6[3,2]) Show SMILES COc1ccc(c(OC)c1)-c1cc(=O)c2cc(F)ccc2o1 Show InChI InChI=1S/C17H13FO4/c1-20-11-4-5-12(16(8-11)21-2)17-9-14(19)13-7-10(18)3-6-15(13)22-17/h3-9H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	5.5	27
Universidade Federal de São Carlo					Assay Description Recombinant human cathepsin V was expressed and purified as described previously.				J Comb Chem 12: 687-95 (2010) Article DOI: 10.1021/cc100076k BindingDB Entry DOI: 10.7270/Q269726R
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM93451 (Flavonid, 6[1,4]) Show SMILES CC(C)(C)Oc1ccc(cc1)-c1cc(=O)c2ccc(Oc3ccccc3)cc2o1 Show InChI InChI=1S/C25H22O4/c1-25(2,3)29-19-11-9-17(10-12-19)23-16-22(26)21-14-13-20(15-24(21)28-23)27-18-7-5-4-6-8-18/h4-16H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	5.5	27
Universidade Federal de São Carlo					Assay Description Recombinant human cathepsin V was expressed and purified as described previously.				J Comb Chem 12: 687-95 (2010) Article DOI: 10.1021/cc100076k BindingDB Entry DOI: 10.7270/Q269726R
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM93447 (Flavonid, 6[3,6]) Show SMILES Fc1ccc2oc(cc(=O)c2c1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C21H13FO2/c22-17-10-11-20-18(12-17)19(23)13-21(24-20)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	5.5	27
Universidade Federal de São Carlo					Assay Description Recombinant human cathepsin V was expressed and purified as described previously.				J Comb Chem 12: 687-95 (2010) Article DOI: 10.1021/cc100076k BindingDB Entry DOI: 10.7270/Q269726R
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM93446 (Flavonid, 6[3,3]) Show SMILES COc1ccc(-c2cc(=O)c3cc(F)ccc3o2)c(OC)c1OC Show InChI InChI=1S/C18H15FO5/c1-21-15-7-5-11(17(22-2)18(15)23-3)16-9-13(20)12-8-10(19)4-6-14(12)24-16/h4-9H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	5.5	27
Universidade Federal de São Carlo					Assay Description Recombinant human cathepsin V was expressed and purified as described previously.				J Comb Chem 12: 687-95 (2010) Article DOI: 10.1021/cc100076k BindingDB Entry DOI: 10.7270/Q269726R
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM93440 (Flavonid, 6[1,6]) Show SMILES O=c1cc(oc2cc(Oc3ccccc3)ccc12)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C27H18O3/c28-25-18-26(21-13-11-20(12-14-21)19-7-3-1-4-8-19)30-27-17-23(15-16-24(25)27)29-22-9-5-2-6-10-22/h1-18H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	5.5	27
Universidade Federal de São Carlo					Assay Description Recombinant human cathepsin V was expressed and purified as described previously.				J Comb Chem 12: 687-95 (2010) Article DOI: 10.1021/cc100076k BindingDB Entry DOI: 10.7270/Q269726R
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM49933 (6-methoxy-2-(4-methoxyphenyl)-1-benzopyran-4-one |...) Show SMILES COc1ccc(cc1)-c1cc(=O)c2cc(OC)ccc2o1 Show InChI InChI=1S/C17H14O4/c1-19-12-5-3-11(4-6-12)17-10-15(18)14-9-13(20-2)7-8-16(14)21-17/h3-10H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	5.5	27
Universidade Federal de São Carlo					Assay Description Recombinant human cathepsin V was expressed and purified as described previously.				J Comb Chem 12: 687-95 (2010) Article DOI: 10.1021/cc100076k BindingDB Entry DOI: 10.7270/Q269726R
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM93441 (Flavonid, 6[2,2]) Show SMILES COc1ccc(c(OC)c1)-c1cc(=O)c2c(OC)cc(OC)cc2o1 Show InChI InChI=1S/C19H18O6/c1-21-11-5-6-13(15(7-11)23-3)16-10-14(20)19-17(24-4)8-12(22-2)9-18(19)25-16/h5-10H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	5.5	27
Universidade Federal de São Carlo					Assay Description Recombinant human cathepsin V was expressed and purified as described previously.				J Comb Chem 12: 687-95 (2010) Article DOI: 10.1021/cc100076k BindingDB Entry DOI: 10.7270/Q269726R
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM93450 (Flavonid, 6[4,6]) Show SMILES COc1ccc2oc(cc(=O)c2c1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H16O3/c1-24-18-11-12-21-19(13-18)20(23)14-22(25-21)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-14H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.92E+4	n/a	n/a	n/a	n/a	5.5	27
Universidade Federal de São Carlo					Assay Description Recombinant human cathepsin V was expressed and purified as described previously.				J Comb Chem 12: 687-95 (2010) Article DOI: 10.1021/cc100076k BindingDB Entry DOI: 10.7270/Q269726R
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM93449 (Flavonid, 6[4,3]) Show SMILES COc1ccc2oc(cc(=O)c2c1)-c1ccc(OC)c(OC)c1OC Show InChI InChI=1S/C19H18O6/c1-21-11-5-7-15-13(9-11)14(20)10-17(25-15)12-6-8-16(22-2)19(24-4)18(12)23-3/h5-10H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	5.5	27
Universidade Federal de São Carlo					Assay Description Recombinant human cathepsin V was expressed and purified as described previously.				J Comb Chem 12: 687-95 (2010) Article DOI: 10.1021/cc100076k BindingDB Entry DOI: 10.7270/Q269726R
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM93448 (Flavonid, 6[4,2]) Show SMILES COc1ccc(c(OC)c1)-c1cc(=O)c2cc(OC)ccc2o1 Show InChI InChI=1S/C18H16O5/c1-20-11-5-7-16-14(8-11)15(19)10-18(23-16)13-6-4-12(21-2)9-17(13)22-3/h4-10H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	5.5	27
Universidade Federal de São Carlo					Assay Description Recombinant human cathepsin V was expressed and purified as described previously.				J Comb Chem 12: 687-95 (2010) Article DOI: 10.1021/cc100076k BindingDB Entry DOI: 10.7270/Q269726R
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM93443 (Flavonid, 6[2,6]) Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H18O4/c1-25-18-12-21(26-2)23-19(24)14-20(27-22(23)13-18)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	5.5	27
Universidade Federal de São Carlo					Assay Description Recombinant human cathepsin V was expressed and purified as described previously.				J Comb Chem 12: 687-95 (2010) Article DOI: 10.1021/cc100076k BindingDB Entry DOI: 10.7270/Q269726R
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM93442 (Flavonid, 6[2,3]) Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1ccc(OC)c(OC)c1OC Show InChI InChI=1S/C20H20O7/c1-22-11-8-16(24-3)18-13(21)10-15(27-17(18)9-11)12-6-7-14(23-2)20(26-5)19(12)25-4/h6-10H,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	5.5	27
Universidade Federal de São Carlo					Assay Description Recombinant human cathepsin V was expressed and purified as described previously.				J Comb Chem 12: 687-95 (2010) Article DOI: 10.1021/cc100076k BindingDB Entry DOI: 10.7270/Q269726R
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM93439 (Flavonid, 6e) Show SMILES Fc1ccc2c(c1)oc(cc2=O)-c1c(F)cccc1Cl Show InChI InChI=1S/C15H7ClF2O2/c16-10-2-1-3-11(18)15(10)14-7-12(19)9-5-4-8(17)6-13(9)20-14/h1-7H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	5.5	27
Universidade Federal de São Carlo					Assay Description Recombinant human cathepsin V was expressed and purified as described previously.				J Comb Chem 12: 687-95 (2010) Article DOI: 10.1021/cc100076k BindingDB Entry DOI: 10.7270/Q269726R
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM93437 (Flavonid, 6b) Show SMILES COc1cccc(Cl)c1-c1cc(=O)c2ccc(F)cc2o1 Show InChI InChI=1S/C16H10ClFO3/c1-20-13-4-2-3-11(17)16(13)15-8-12(19)10-6-5-9(18)7-14(10)21-15/h2-8H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	5.5	27
Universidade Federal de São Carlo					Assay Description Recombinant human cathepsin V was expressed and purified as described previously.				J Comb Chem 12: 687-95 (2010) Article DOI: 10.1021/cc100076k BindingDB Entry DOI: 10.7270/Q269726R
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM93436 (Flavonid, 5c) Show SMILES COc1cccc(\C=C\C(=O)c2ccc(Oc3ccccc3)cc2O)c1 Show InChI InChI=1S/C22H18O4/c1-25-18-9-5-6-16(14-18)10-13-21(23)20-12-11-19(15-22(20)24)26-17-7-3-2-4-8-17/h2-15,24H,1H3/b13-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	5.5	27
Universidade Federal de São Carlo					Assay Description Recombinant human cathepsin V was expressed and purified as described previously.				J Comb Chem 12: 687-95 (2010) Article DOI: 10.1021/cc100076k BindingDB Entry DOI: 10.7270/Q269726R
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM93434 (Flavonid, 5a) Show SMILES COc1ccc(C(=O)\C=C\c2ccc(OC)cc2OC)c(O)c1 Show InChI InChI=1S/C18H18O5/c1-21-13-7-8-15(17(20)10-13)16(19)9-5-12-4-6-14(22-2)11-18(12)23-3/h4-11,20H,1-3H3/b9-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	5.5	27
Universidade Federal de São Carlo					Assay Description Recombinant human cathepsin V was expressed and purified as described previously.				J Comb Chem 12: 687-95 (2010) Article DOI: 10.1021/cc100076k BindingDB Entry DOI: 10.7270/Q269726R
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM93435 (Flavonid, 5b) Show SMILES COc1cccc(Cl)c1\C=C\C(=O)c1ccc(F)cc1O Show InChI InChI=1S/C16H12ClFO3/c1-21-16-4-2-3-13(17)11(16)7-8-14(19)12-6-5-10(18)9-15(12)20/h2-9,20H,1H3/b8-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	5.5	27
Universidade Federal de São Carlo					Assay Description Recombinant human cathepsin V was expressed and purified as described previously.				J Comb Chem 12: 687-95 (2010) Article DOI: 10.1021/cc100076k BindingDB Entry DOI: 10.7270/Q269726R
					More data for this Ligand-Target Pair