Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50030985   

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)	BDBM50304793 ((S)-benzyl 1-(2-cyano-1,2-dimethylhydrazinyl)-1-ox...) Show SMILES CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C20H22N4O3/c1-23(15-21)24(2)19(25)18(13-16-9-5-3-6-10-16)22-20(26)27-14-17-11-7-4-8-12-17/h3-12,18H,13-14H2,1-2H3,(H,22,26)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibition of Carica papaya papain by microtiter plate spectrofluorimetry				Bioorg Med Chem Lett 20: 252-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.122 BindingDB Entry DOI: 10.7270/Q24X57WM
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50304796 ((S)-benzyl 1-(2-cyano-1-methyl-2-phenethylhydrazin...) Show SMILES CN(N(CCc1ccccc1)C#N)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C27H28N4O3/c1-30(31(21-28)18-17-22-11-5-2-6-12-22)26(32)25(19-23-13-7-3-8-14-23)29-27(33)34-20-24-15-9-4-10-16-24/h2-16,25H,17-20H2,1H3,(H,29,33)/t25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibition of Carica papaya papain by microtiter plate spectrofluorimetry				Bioorg Med Chem Lett 20: 252-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.122 BindingDB Entry DOI: 10.7270/Q24X57WM
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50304794 ((S)-benzyl 1-(2-cyano-1,2-dimethylhydrazinyl)-4-me...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N |r| Show InChI InChI=1S/C17H24N4O3/c1-13(2)10-15(16(22)21(4)20(3)12-18)19-17(23)24-11-14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H,19,23)/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibition of Carica papaya papain by microtiter plate spectrofluorimetry				Bioorg Med Chem Lett 20: 252-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.122 BindingDB Entry DOI: 10.7270/Q24X57WM
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50304797 ((S)-benzyl 1-(2-cyano-1-methyl-2-pentylhydrazinyl)...) Show SMILES CCCCCN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C24H30N4O3/c1-3-4-11-16-28(19-25)27(2)23(29)22(17-20-12-7-5-8-13-20)26-24(30)31-18-21-14-9-6-10-15-21/h5-10,12-15,22H,3-4,11,16-18H2,1-2H3,(H,26,30)/t22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibition of Carica papaya papain by microtiter plate spectrofluorimetry				Bioorg Med Chem Lett 20: 252-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.122 BindingDB Entry DOI: 10.7270/Q24X57WM
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50304795 ((S)-benzyl 1-(2-benzyl-2-cyano-1-methylhydrazinyl)...) Show SMILES CN(N(Cc1ccccc1)C#N)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C26H26N4O3/c1-29(30(20-27)18-22-13-7-3-8-14-22)25(31)24(17-21-11-5-2-6-12-21)28-26(32)33-19-23-15-9-4-10-16-23/h2-16,24H,17-19H2,1H3,(H,28,32)/t24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibition of Carica papaya papain by microtiter plate spectrofluorimetry				Bioorg Med Chem Lett 20: 252-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.122 BindingDB Entry DOI: 10.7270/Q24X57WM
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50304798 (CHEMBL595637 | benzyl(S)-1-((S)-1-cyanoethylamino)...) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C#N |r| Show InChI InChI=1S/C20H21N3O3/c1-15(13-21)22-19(24)18(12-16-8-4-2-5-9-16)23-20(25)26-14-17-10-6-3-7-11-17/h2-11,15,18H,12,14H2,1H3,(H,22,24)(H,23,25)/t15-,18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibition of Carica papaya papain by microtiter plate spectrofluorimetry				Bioorg Med Chem Lett 20: 252-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.122 BindingDB Entry DOI: 10.7270/Q24X57WM
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50304799 (CHEMBL603537 | benzyl(S)-1-(((S)-1-cyanoethyl)(met...) Show SMILES C[C@@H](C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C21H23N3O3/c1-16(14-22)24(2)20(25)19(13-17-9-5-3-6-10-17)23-21(26)27-15-18-11-7-4-8-12-18/h3-12,16,19H,13,15H2,1-2H3,(H,23,26)/t16-,19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibition of Carica papaya papain by microtiter plate spectrofluorimetry				Bioorg Med Chem Lett 20: 252-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.122 BindingDB Entry DOI: 10.7270/Q24X57WM
					More data for this Ligand-Target Pair