Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'van hest' and Initial = 'jc'   

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
Papain (Carica papaya)	BDBM20120 ((2S)-N-(cyanomethyl)-3-phenyl-2-[(4-phenylphenyl)f...) Show SMILES O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C24H21N3O2/c25-15-16-26-24(29)22(17-18-7-3-1-4-8-18)27-23(28)21-13-11-20(12-14-21)19-9-5-2-6-10-19/h1-14,22H,16-17H2,(H,26,29)(H,27,28)/t22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Curated by ChEMBL					Assay Description Inhibition of papaya papain using Z-Phe-Arg-pNA substrate by spectrophotometry				Bioorg Med Chem 22: 5593-603 (2014) Article DOI: 10.1016/j.bmc.2014.06.001 BindingDB Entry DOI: 10.7270/Q22N53X1
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50048077 (CHEMBL3357470) Show SMILES [N-]=[N+]=NCc1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N |r| Show InChI InChI=1S/C19H18N6O2/c20-10-11-22-19(27)17(12-14-4-2-1-3-5-14)24-18(26)16-8-6-15(7-9-16)13-23-25-21/h1-9,17H,11-13H2,(H,22,27)(H,24,26)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Curated by ChEMBL					Assay Description Inhibition of papaya papain using Z-Phe-Arg-pNA substrate by spectrophotometry				Bioorg Med Chem 22: 5593-603 (2014) Article DOI: 10.1016/j.bmc.2014.06.001 BindingDB Entry DOI: 10.7270/Q22N53X1
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50048079 (CHEMBL3357955) Show SMILES Oc1ccc(C[C@H](NC(=O)c2ccc(CN=[N+]=[N-])cc2)C(=O)NCC#N)cc1 |r| Show InChI InChI=1S/C19H18N6O3/c20-9-10-22-19(28)17(11-13-3-7-16(26)8-4-13)24-18(27)15-5-1-14(2-6-15)12-23-25-21/h1-8,17,26H,10-12H2,(H,22,28)(H,24,27)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Curated by ChEMBL					Assay Description Inhibition of papaya papain using Z-Phe-Arg-pNA substrate by spectrophotometry				Bioorg Med Chem 22: 5593-603 (2014) Article DOI: 10.1016/j.bmc.2014.06.001 BindingDB Entry DOI: 10.7270/Q22N53X1
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50048070 (CHEMBL3357964) Show SMILES [H][C@@]12CCc3nnn(Cc4ccc(cc4)C(=O)N[C@@H](Cc4ccccc4)C(=O)NCC#N)c3CC[C@]1([H])[C@@H]2COC(=O)NCCOCCOCCN |r| Show InChI InChI=1S/C36H46N8O6/c37-14-16-39-35(46)32(22-25-4-2-1-3-5-25)41-34(45)27-8-6-26(7-9-27)23-44-33-13-11-29-28(10-12-31(33)42-43-44)30(29)24-50-36(47)40-17-19-49-21-20-48-18-15-38/h1-9,28-30,32H,10-13,15-24,38H2,(H,39,46)(H,40,47)(H,41,45)/t28-,29+,30-,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Curated by ChEMBL					Assay Description Inhibition of papaya papain using Z-Phe-Arg-pNA substrate by spectrophotometry				Bioorg Med Chem 22: 5593-603 (2014) Article DOI: 10.1016/j.bmc.2014.06.001 BindingDB Entry DOI: 10.7270/Q22N53X1
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM20119 ((2S)-N-(cyanomethyl)-3-phenyl-2-(phenylformamido)p...) Show SMILES O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C18H17N3O2/c19-11-12-20-18(23)16(13-14-7-3-1-4-8-14)21-17(22)15-9-5-2-6-10-15/h1-10,16H,12-13H2,(H,20,23)(H,21,22)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Curated by ChEMBL					Assay Description Inhibition of papaya papain using Z-Phe-Arg-pNA substrate by spectrophotometry				Bioorg Med Chem 22: 5593-603 (2014) Article DOI: 10.1016/j.bmc.2014.06.001 BindingDB Entry DOI: 10.7270/Q22N53X1
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50048080 (CHEMBL3357956) Show SMILES [N-]=[N+]=NCc1ccc(cc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCC#N |r| Show InChI InChI=1S/C20H20N6O2/c21-12-13-23-20(28)18(11-8-15-4-2-1-3-5-15)25-19(27)17-9-6-16(7-10-17)14-24-26-22/h1-7,9-10,18H,8,11,13-14H2,(H,23,28)(H,25,27)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Curated by ChEMBL					Assay Description Inhibition of papaya papain using Z-Phe-Arg-pNA substrate by spectrophotometry				Bioorg Med Chem 22: 5593-603 (2014) Article DOI: 10.1016/j.bmc.2014.06.001 BindingDB Entry DOI: 10.7270/Q22N53X1
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50048081 (CHEMBL3357957) Show SMILES Oc1ccc(CC[C@H](NC(=O)c2ccc(CN=[N+]=[N-])cc2)C(=O)NCC#N)cc1 |r| Show InChI InChI=1S/C20H20N6O3/c21-11-12-23-20(29)18(10-5-14-3-8-17(27)9-4-14)25-19(28)16-6-1-15(2-7-16)13-24-26-22/h1-4,6-9,18,27H,5,10,12-13H2,(H,23,29)(H,25,28)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Curated by ChEMBL					Assay Description Inhibition of papaya papain using Z-Phe-Arg-pNA substrate by spectrophotometry				Bioorg Med Chem 22: 5593-603 (2014) Article DOI: 10.1016/j.bmc.2014.06.001 BindingDB Entry DOI: 10.7270/Q22N53X1
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50048082 (CHEMBL3357958) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1ccc(CN=[N+]=[N-])cc1)C(=O)NCC#N |r| Show InChI InChI=1S/C22H24N6O2/c1-15(2)13-20(22(30)25-12-11-23)27-21(29)19-9-7-18(8-10-19)17-5-3-16(4-6-17)14-26-28-24/h3-10,15,20H,12-14H2,1-2H3,(H,25,30)(H,27,29)/t20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Curated by ChEMBL					Assay Description Inhibition of papaya papain using Z-Phe-Arg-pNA substrate by spectrophotometry				Bioorg Med Chem 22: 5593-603 (2014) Article DOI: 10.1016/j.bmc.2014.06.001 BindingDB Entry DOI: 10.7270/Q22N53X1
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50048072 (CHEMBL3357962) Show SMILES CC(C)C[C@H](NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N |r| Show InChI InChI=1S/C19H25N7O3/c1-13(2)10-15(24-17(27)12-23-26-21)19(29)25-16(18(28)22-9-8-20)11-14-6-4-3-5-7-14/h3-7,13,15-16H,9-12H2,1-2H3,(H,22,28)(H,24,27)(H,25,29)/t15-,16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Curated by ChEMBL					Assay Description Inhibition of papaya papain using Z-Phe-Arg-pNA substrate by spectrophotometry				Bioorg Med Chem 22: 5593-603 (2014) Article DOI: 10.1016/j.bmc.2014.06.001 BindingDB Entry DOI: 10.7270/Q22N53X1
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50048074 (CHEMBL3357468) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(CN=[N+]=[N-])cc1)C(=O)NCC#N |r| Show InChI InChI=1S/C16H20N6O2/c1-11(2)9-14(16(24)19-8-7-17)21-15(23)13-5-3-12(4-6-13)10-20-22-18/h3-6,11,14H,8-10H2,1-2H3,(H,19,24)(H,21,23)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Curated by ChEMBL					Assay Description Inhibition of papaya papain using Z-Phe-Arg-pNA substrate by spectrophotometry				Bioorg Med Chem 22: 5593-603 (2014) Article DOI: 10.1016/j.bmc.2014.06.001 BindingDB Entry DOI: 10.7270/Q22N53X1
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50048068 (CHEMBL3357961) Show SMILES CC(C)C[C@H](NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)NCC#N |r| Show InChI InChI=1S/C16H27N7O3/c1-10(2)7-12(15(25)19-6-5-17)22-16(26)13(8-11(3)4)21-14(24)9-20-23-18/h10-13H,6-9H2,1-4H3,(H,19,25)(H,21,24)(H,22,26)/t12-,13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Curated by ChEMBL					Assay Description Inhibition of papaya papain using Z-Phe-Arg-pNA substrate by spectrophotometry				Bioorg Med Chem 22: 5593-603 (2014) Article DOI: 10.1016/j.bmc.2014.06.001 BindingDB Entry DOI: 10.7270/Q22N53X1
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50048073 (CHEMBL3357963) Show SMILES [N-]=[N+]=NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N |r| Show InChI InChI=1S/C22H23N7O3/c23-11-12-25-21(31)18(13-16-7-3-1-4-8-16)28-22(32)19(27-20(30)15-26-29-24)14-17-9-5-2-6-10-17/h1-10,18-19H,12-15H2,(H,25,31)(H,27,30)(H,28,32)/t18-,19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Curated by ChEMBL					Assay Description Inhibition of papaya papain using Z-Phe-Arg-pNA substrate by spectrophotometry				Bioorg Med Chem 22: 5593-603 (2014) Article DOI: 10.1016/j.bmc.2014.06.001 BindingDB Entry DOI: 10.7270/Q22N53X1
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50048071 (CHEMBL3357965) Show SMILES NCCOCCOCCNC(=O)CCCC(=O)N1Cc2ccccc2-c2c(nnn2Cc2ccc(cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC#N)-c2ccccc12 |r| Show InChI InChI=1S/C45H49N9O6/c46-21-23-49-45(58)38(29-32-9-2-1-3-10-32)50-44(57)34-19-17-33(18-20-34)30-54-43-36-12-5-4-11-35(36)31-53(39-14-7-6-13-37(39)42(43)51-52-54)41(56)16-8-15-40(55)48-24-26-60-28-27-59-25-22-47/h1-7,9-14,17-20,38H,8,15-16,22-31,47H2,(H,48,55)(H,49,58)(H,50,57)/t38-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Curated by ChEMBL					Assay Description Inhibition of papaya papain using Z-Phe-Arg-pNA substrate by spectrophotometry				Bioorg Med Chem 22: 5593-603 (2014) Article DOI: 10.1016/j.bmc.2014.06.001 BindingDB Entry DOI: 10.7270/Q22N53X1
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50048075 (CHEMBL3357469) Show SMILES CCCC[C@H](NC(=O)c1ccc(CN=[N+]=[N-])cc1)C(=O)NCC#N |r| Show InChI InChI=1S/C16H20N6O2/c1-2-3-4-14(16(24)19-10-9-17)21-15(23)13-7-5-12(6-8-13)11-20-22-18/h5-8,14H,2-4,10-11H2,1H3,(H,19,24)(H,21,23)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Curated by ChEMBL					Assay Description Inhibition of papaya papain using Z-Phe-Arg-pNA substrate by spectrophotometry				Bioorg Med Chem 22: 5593-603 (2014) Article DOI: 10.1016/j.bmc.2014.06.001 BindingDB Entry DOI: 10.7270/Q22N53X1
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50048083 (CHEMBL3357959) Show SMILES [N-]=[N+]=NCc1ccc(cc1)-c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N |r| Show InChI InChI=1S/C25H22N6O2/c26-14-15-28-25(33)23(16-18-4-2-1-3-5-18)30-24(32)22-12-10-21(11-13-22)20-8-6-19(7-9-20)17-29-31-27/h1-13,23H,15-17H2,(H,28,33)(H,30,32)/t23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Curated by ChEMBL					Assay Description Inhibition of papaya papain using Z-Phe-Arg-pNA substrate by spectrophotometry				Bioorg Med Chem 22: 5593-603 (2014) Article DOI: 10.1016/j.bmc.2014.06.001 BindingDB Entry DOI: 10.7270/Q22N53X1
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50048067 (CHEMBL3357960) Show SMILES Oc1ccc(C[C@H](NC(=O)c2ccc(cc2)-c2ccc(CN=[N+]=[N-])cc2)C(=O)NCC#N)cc1 |r| Show InChI InChI=1S/C25H22N6O3/c26-13-14-28-25(34)23(15-17-3-11-22(32)12-4-17)30-24(33)21-9-7-20(8-10-21)19-5-1-18(2-6-19)16-29-31-27/h1-12,23,32H,14-16H2,(H,28,34)(H,30,33)/t23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Curated by ChEMBL					Assay Description Inhibition of papaya papain using Z-Phe-Arg-pNA substrate by spectrophotometry				Bioorg Med Chem 22: 5593-603 (2014) Article DOI: 10.1016/j.bmc.2014.06.001 BindingDB Entry DOI: 10.7270/Q22N53X1
					More data for this Ligand-Target Pair