Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50034004   

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
Neutrophil elastase (Homo sapiens (Human))	BDBM50355307 (CHEMBL1835012) Show SMILES C[C@@H]1OC2=C(C(=O)C(=N)c3c(O)c(O)cc(C=O)c23)C1(C)C |r,t:3| Show InChI InChI=1S/C16H15NO5/c1-6-16(2,3)11-14(21)12(17)10-9(15(11)22-6)7(5-18)4-8(19)13(10)20/h4-6,17,19-20H,1-3H3/t6-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase using MeOSuc-Ala-Ala-Pro-Val-para-nitroanilide chromogenic substrate after 10 mins spectrophotometrically				J Nat Prod 74: 2282-5 (2011) Article DOI: 10.1021/np2004227 BindingDB Entry DOI: 10.7270/Q2ZW1M94
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50355305 (CHEMBL1835010) Show SMILES C[C@@H]1Oc2c(c(O)c3NC(=O)c4c(O)cc(C)c2c34)C1(C)C |r| Show InChI InChI=1S/C17H17NO4/c1-6-5-8(19)10-11-9(6)15-12(17(3,4)7(2)22-15)14(20)13(11)18-16(10)21/h5,7,19-20H,1-4H3,(H,18,21)/t7-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase using MeOSuc-Ala-Ala-Pro-Val-para-nitroanilide chromogenic substrate after 10 mins spectrophotometrically				J Nat Prod 74: 2282-5 (2011) Article DOI: 10.1021/np2004227 BindingDB Entry DOI: 10.7270/Q2ZW1M94
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50355306 (CHEMBL1835011) Show SMILES C[C@@H]1OC2=C(C(=O)C(=O)c3cc(O)cc(C)c23)C1(C)C |r,t:3| Show InChI InChI=1S/C16H16O4/c1-7-5-9(17)6-10-11(7)15-12(14(19)13(10)18)16(3,4)8(2)20-15/h5-6,8,17H,1-4H3/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase using MeOSuc-Ala-Ala-Pro-Val-para-nitroanilide chromogenic substrate after 10 mins spectrophotometrically				J Nat Prod 74: 2282-5 (2011) Article DOI: 10.1021/np2004227 BindingDB Entry DOI: 10.7270/Q2ZW1M94
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50355305 (CHEMBL1835010) Show SMILES C[C@@H]1Oc2c(c(O)c3NC(=O)c4c(O)cc(C)c2c34)C1(C)C |r| Show InChI InChI=1S/C17H17NO4/c1-6-5-8(19)10-11-9(6)15-12(17(3,4)7(2)22-15)14(20)13(11)18-16(10)21/h5,7,19-20H,1-4H3,(H,18,21)/t7-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of Carica papaya papain				J Nat Prod 74: 2282-5 (2011) Article DOI: 10.1021/np2004227 BindingDB Entry DOI: 10.7270/Q2ZW1M94
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50355306 (CHEMBL1835011) Show SMILES C[C@@H]1OC2=C(C(=O)C(=O)c3cc(O)cc(C)c23)C1(C)C |r,t:3| Show InChI InChI=1S/C16H16O4/c1-7-5-9(17)6-10-11(7)15-12(14(19)13(10)18)16(3,4)8(2)20-15/h5-6,8,17H,1-4H3/t8-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of Carica papaya papain				J Nat Prod 74: 2282-5 (2011) Article DOI: 10.1021/np2004227 BindingDB Entry DOI: 10.7270/Q2ZW1M94
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50355307 (CHEMBL1835012) Show SMILES C[C@@H]1OC2=C(C(=O)C(=N)c3c(O)c(O)cc(C=O)c23)C1(C)C |r,t:3| Show InChI InChI=1S/C16H15NO5/c1-6-16(2,3)11-14(21)12(17)10-9(15(11)22-6)7(5-18)4-8(19)13(10)20/h4-6,17,19-20H,1-3H3/t6-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of Carica papaya papain				J Nat Prod 74: 2282-5 (2011) Article DOI: 10.1021/np2004227 BindingDB Entry DOI: 10.7270/Q2ZW1M94
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50355306 (CHEMBL1835011) Show SMILES C[C@@H]1OC2=C(C(=O)C(=O)c3cc(O)cc(C)c23)C1(C)C |r,t:3| Show InChI InChI=1S/C16H16O4/c1-7-5-9(17)6-10-11(7)15-12(14(19)13(10)18)16(3,4)8(2)20-15/h5-6,8,17H,1-4H3/t8-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				J Nat Prod 74: 2282-5 (2011) Article DOI: 10.1021/np2004227 BindingDB Entry DOI: 10.7270/Q2ZW1M94
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50355307 (CHEMBL1835012) Show SMILES C[C@@H]1OC2=C(C(=O)C(=N)c3c(O)c(O)cc(C=O)c23)C1(C)C |r,t:3| Show InChI InChI=1S/C16H15NO5/c1-6-16(2,3)11-14(21)12(17)10-9(15(11)22-6)7(5-18)4-8(19)13(10)20/h4-6,17,19-20H,1-3H3/t6-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				J Nat Prod 74: 2282-5 (2011) Article DOI: 10.1021/np2004227 BindingDB Entry DOI: 10.7270/Q2ZW1M94
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50355305 (CHEMBL1835010) Show SMILES C[C@@H]1Oc2c(c(O)c3NC(=O)c4c(O)cc(C)c2c34)C1(C)C |r| Show InChI InChI=1S/C17H17NO4/c1-6-5-8(19)10-11-9(6)15-12(17(3,4)7(2)22-15)14(20)13(11)18-16(10)21/h5,7,19-20H,1-4H3,(H,18,21)/t7-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				J Nat Prod 74: 2282-5 (2011) Article DOI: 10.1021/np2004227 BindingDB Entry DOI: 10.7270/Q2ZW1M94
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50355306 (CHEMBL1835011) Show SMILES C[C@@H]1OC2=C(C(=O)C(=O)c3cc(O)cc(C)c23)C1(C)C |r,t:3| Show InChI InChI=1S/C16H16O4/c1-7-5-9(17)6-10-11(7)15-12(14(19)13(10)18)16(3,4)8(2)20-15/h5-6,8,17H,1-4H3/t8-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human thrombin				J Nat Prod 74: 2282-5 (2011) Article DOI: 10.1021/np2004227 BindingDB Entry DOI: 10.7270/Q2ZW1M94
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50355305 (CHEMBL1835010) Show SMILES C[C@@H]1Oc2c(c(O)c3NC(=O)c4c(O)cc(C)c2c34)C1(C)C |r| Show InChI InChI=1S/C17H17NO4/c1-6-5-8(19)10-11-9(6)15-12(17(3,4)7(2)22-15)14(20)13(11)18-16(10)21/h5,7,19-20H,1-4H3,(H,18,21)/t7-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human thrombin				J Nat Prod 74: 2282-5 (2011) Article DOI: 10.1021/np2004227 BindingDB Entry DOI: 10.7270/Q2ZW1M94
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50355307 (CHEMBL1835012) Show SMILES C[C@@H]1OC2=C(C(=O)C(=N)c3c(O)c(O)cc(C=O)c23)C1(C)C |r,t:3| Show InChI InChI=1S/C16H15NO5/c1-6-16(2,3)11-14(21)12(17)10-9(15(11)22-6)7(5-18)4-8(19)13(10)20/h4-6,17,19-20H,1-3H3/t6-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human thrombin				J Nat Prod 74: 2282-5 (2011) Article DOI: 10.1021/np2004227 BindingDB Entry DOI: 10.7270/Q2ZW1M94
					More data for this Ligand-Target Pair