Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50029487   

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 B (Homo sapiens (Human))	BDBM50284944 (((S)-1-(S)-Oxiranyl-2-phenyl-ethyl)-carbamic acid ...) Show SMILES O=C(N[C@@H](Cc1ccccc1)[C@H]1CO1)OCc1ccccc1 Show InChI InChI=1S/C18H19NO3/c20-18(22-12-15-9-5-2-6-10-15)19-16(17-13-21-17)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,19,20)/t16-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article	0.0870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Kinetic parameter (Ki 1/min) was evaluated for the inactivation of cathepsin B				Bioorg Med Chem Lett 5: 1767-1772 (1995) Article DOI: 10.1016/0960-894X(95)00312-H BindingDB Entry DOI: 10.7270/Q2MW2H4X
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50284944 (((S)-1-(S)-Oxiranyl-2-phenyl-ethyl)-carbamic acid ...) Show SMILES O=C(N[C@@H](Cc1ccccc1)[C@H]1CO1)OCc1ccccc1 Show InChI InChI=1S/C18H19NO3/c20-18(22-12-15-9-5-2-6-10-15)19-16(17-13-21-17)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,19,20)/t16-,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article	0.208	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Kinetic parameter (Ki 1/min) was evaluated for the inactivation of papain				Bioorg Med Chem Lett 5: 1767-1772 (1995) Article DOI: 10.1016/0960-894X(95)00312-H BindingDB Entry DOI: 10.7270/Q2MW2H4X
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50284944 (((S)-1-(S)-Oxiranyl-2-phenyl-ethyl)-carbamic acid ...) Show SMILES O=C(N[C@@H](Cc1ccccc1)[C@H]1CO1)OCc1ccccc1 Show InChI InChI=1S/C18H19NO3/c20-18(22-12-15-9-5-2-6-10-15)19-16(17-13-21-17)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,19,20)/t16-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article	3.67E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Kinetic parameter of the compound (Ki mM) was evaluated for the inactivation of cathepsin B				Bioorg Med Chem Lett 5: 1767-1772 (1995) Article DOI: 10.1016/0960-894X(95)00312-H BindingDB Entry DOI: 10.7270/Q2MW2H4X
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50284944 (((S)-1-(S)-Oxiranyl-2-phenyl-ethyl)-carbamic acid ...) Show SMILES O=C(N[C@@H](Cc1ccccc1)[C@H]1CO1)OCc1ccccc1 Show InChI InChI=1S/C18H19NO3/c20-18(22-12-15-9-5-2-6-10-15)19-16(17-13-21-17)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,19,20)/t16-,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article	5.74E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Kinetic parameter of the compound (Ki mM) was evaluated for the inactivation of papain				Bioorg Med Chem Lett 5: 1767-1772 (1995) Article DOI: 10.1016/0960-894X(95)00312-H BindingDB Entry DOI: 10.7270/Q2MW2H4X
					More data for this Ligand-Target Pair