Compile Data Set for Download or QSAR

Found 154 hits with Last Name = 'mullan' and Initial = 'p'   

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
Aromatase (Homo sapiens (Human))	BDBM91718 (Androst-1,4-dien-3,17-dione, 7) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O |c:12,t:8| Show InChI InChI=1S/C19H24O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inactivation rate (Ki) for human placental aromatase Cytochrome P450 19A1				J Med Chem 32: 651-8 (1989) BindingDB Entry DOI: 10.7270/Q29024CR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM18161 ((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Competitive inhibition of binding to human placental Cytochrome P450 19A1				J Med Chem 32: 651-8 (1989) BindingDB Entry DOI: 10.7270/Q29024CR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM91718 (Androst-1,4-dien-3,17-dione, 7) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O |c:12,t:8| Show InChI InChI=1S/C19H24O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inactivation rate (Ki) for human placental aromatase Cytochrome P450 19A1				J Med Chem 32: 651-8 (1989) BindingDB Entry DOI: 10.7270/Q29024CR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014314 (9a,11a-Dimethyl-3a,4,5,9a,9b,10,11,11a-octahydro-3...) Show SMILES [H][C@@]12COC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:22,t:18| Show InChI InChI=1S/C18H22O3/c1-17-7-5-12(19)9-11(17)3-4-13-14(17)6-8-18(2)15(13)10-21-16(18)20/h5,7,9,13-15H,3-4,6,8,10H2,1-2H3/t13-,14+,15+,17+,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Competitive inhibition of binding to human placental aromatase Cytochrome P450 19A1				J Med Chem 32: 651-8 (1989) BindingDB Entry DOI: 10.7270/Q29024CR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014314 (9a,11a-Dimethyl-3a,4,5,9a,9b,10,11,11a-octahydro-3...) Show SMILES [H][C@@]12COC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:22,t:18| Show InChI InChI=1S/C18H22O3/c1-17-7-5-12(19)9-11(17)3-4-13-14(17)6-8-18(2)15(13)10-21-16(18)20/h5,7,9,13-15H,3-4,6,8,10H2,1-2H3/t13-,14+,15+,17+,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Competitive inhibition of binding to human placental aromatase Cytochrome P450 19A1				J Med Chem 32: 651-8 (1989) BindingDB Entry DOI: 10.7270/Q29024CR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50020640 (10,13-Dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dod...) Show SMILES CC12CCCC1C1CCC3=CC(=O)C=CC3(C)C1CC2 |c:14,t:10| Show InChI InChI=1S/C19H26O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h7,11-12,15-17H,3-6,8-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Competitive inhibition of binding to human placental aromatase Cytochrome P450 19A1				J Med Chem 32: 651-8 (1989) BindingDB Entry DOI: 10.7270/Q29024CR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50020640 (10,13-Dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dod...) Show SMILES CC12CCCC1C1CCC3=CC(=O)C=CC3(C)C1CC2 |c:14,t:10| Show InChI InChI=1S/C19H26O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h7,11-12,15-17H,3-6,8-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inactivation rate (Ki) for human placental Cytochrome P450 19A1				J Med Chem 32: 651-8 (1989) BindingDB Entry DOI: 10.7270/Q29024CR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM18161 ((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inactivation rate (Ki) for human placental Cytochrome P450 19A1				J Med Chem 32: 651-8 (1989) BindingDB Entry DOI: 10.7270/Q29024CR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50020645 (2,4b-Dimethyl-7-oxo-1,2,3,4,4a,4b,7,9,10,10a-decah...) Show SMILES CC1(CCC2C(CCC3=CC(=O)C=CC23C)C1)C=O |c:12,t:8| Show InChI InChI=1S/C17H22O2/c1-16(11-18)7-6-15-12(10-16)3-4-13-9-14(19)5-8-17(13,15)2/h5,8-9,11-12,15H,3-4,6-7,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inactivation rate (Ki) of human placental Cytochrome P450 19A1				J Med Chem 32: 651-8 (1989) BindingDB Entry DOI: 10.7270/Q29024CR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50020647 (7-Hydroxymethyl-4a,7-dimethyl-4b,5,6,7,8,8a,9,10-o...) Show SMILES CC1(CO)CCC2C(CCC3=CC(=O)C=CC23C)C1 |c:14,t:10| Show InChI InChI=1S/C17H24O2/c1-16(11-18)7-6-15-12(10-16)3-4-13-9-14(19)5-8-17(13,15)2/h5,8-9,12,15,18H,3-4,6-7,10-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.56E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inactivation rate (Ki) of human placental Cytochrome P450 19A1				J Med Chem 32: 651-8 (1989) BindingDB Entry DOI: 10.7270/Q29024CR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50020641 (Acetic acid 2,4b-dimethyl-7-oxo-1,2,3,4,4a,4b,7,9,...) Show SMILES CC(=O)OCC1(C)CCC2C(CCC3=CC(=O)C=CC23C)C1 |c:17,t:13| Show InChI InChI=1S/C19H26O3/c1-13(20)22-12-18(2)8-7-17-14(11-18)4-5-15-10-16(21)6-9-19(15,17)3/h6,9-10,14,17H,4-5,7-8,11-12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Competitive inhibition of binding to human placental aromatase Cytochrome P450 19A1				J Med Chem 32: 651-8 (1989) BindingDB Entry DOI: 10.7270/Q29024CR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50020639 (7-Acetyl-4a,7-dimethyl-4b,5,6,7,8,8a,9,10-octahydr...) Show SMILES CC(=O)C1(C)CCC2C(CCC3=CC(=O)C=CC23C)C1 |c:15,t:11| Show InChI InChI=1S/C18H24O2/c1-12(19)17(2)8-7-16-13(11-17)4-5-14-10-15(20)6-9-18(14,16)3/h6,9-10,13,16H,4-5,7-8,11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Competitive inhibition of binding to human placental aromatase Cytochrome P450 19A1				J Med Chem 32: 651-8 (1989) BindingDB Entry DOI: 10.7270/Q29024CR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50020642 (4a,7-Dimethyl-7-propionyl-4b,5,6,7,8,8a,9,10-octah...) Show SMILES CCC(=O)C1(C)CCC2C(CCC3=CC(=O)C=CC23C)C1 |c:16,t:12| Show InChI InChI=1S/C19H26O2/c1-4-17(21)18(2)9-8-16-13(12-18)5-6-14-11-15(20)7-10-19(14,16)3/h7,10-11,13,16H,4-6,8-9,12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Competitive inhibition of binding to human placental aromatase Cytochrome P450 19A1				J Med Chem 32: 651-8 (1989) BindingDB Entry DOI: 10.7270/Q29024CR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50020644 (1,2,4b-Trimethyl-7-oxo-1,2,3,4,4a,4b,7,9,10,10a-de...) Show SMILES COC(=O)C1(C)CCC2C(CCC3=CC(=O)C=CC23C)C1C |c:16,t:12| Show InChI InChI=1S/C19H26O3/c1-12-15-6-5-13-11-14(20)7-9-19(13,3)16(15)8-10-18(12,2)17(21)22-4/h7,9,11-12,15-16H,5-6,8,10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.03E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Competitive inhibition of binding to human placental aromatase Cytochrome P450 19A1				J Med Chem 32: 651-8 (1989) BindingDB Entry DOI: 10.7270/Q29024CR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50020643 (2,4b-Dimethyl-7-oxo-1,2,3,4,4a,4b,7,9,10,10a-decah...) Show SMILES COC(=O)C1(C)CCC2C(CCC3=CC(=O)C=CC23C)C1 |c:16,t:12| Show InChI InChI=1S/C18H24O3/c1-17(16(20)21-3)8-7-15-12(11-17)4-5-13-10-14(19)6-9-18(13,15)2/h6,9-10,12,15H,4-5,7-8,11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Competitive inhibition of binding to human placental Cytochrome P450 19A1				J Med Chem 32: 651-8 (1989) BindingDB Entry DOI: 10.7270/Q29024CR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50020638 (2,4b-Dimethyl-7-oxo-1,2,3,4,4a,4b,7,9,10,10a-decah...) Show SMILES CC1(CCC2C(CCC3=CC(=O)C=CC23C)C1)C(O)=O |c:12,t:8| Show InChI InChI=1S/C17H22O3/c1-16(15(19)20)7-6-14-11(10-16)3-4-12-9-13(18)5-8-17(12,14)2/h5,8-9,11,14H,3-4,6-7,10H2,1-2H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.93E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Competitive inhibition of binding to human placental aromatase Cytochrome P450 19A1				J Med Chem 32: 651-8 (1989) BindingDB Entry DOI: 10.7270/Q29024CR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50020646 (1,2,4b-Trimethyl-7-oxo-1,2,3,4,4a,4b,7,9,10,10a-de...) Show SMILES CC1C2CCC3=CC(=O)C=CC3(C)C2CCC1(C)C(O)=O |c:9,t:5| Show InChI InChI=1S/C18H24O3/c1-11-14-5-4-12-10-13(19)6-8-18(12,3)15(14)7-9-17(11,2)16(20)21/h6,8,10-11,14-15H,4-5,7,9H2,1-3H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Competitive inhibition of binding to human placental Cytochrome P450 19A1				J Med Chem 32: 651-8 (1989) BindingDB Entry DOI: 10.7270/Q29024CR
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50510337 (CHEMBL4545652) Show SMILES Cn1ncc2cccc(-c3ccc(cc3)S(=O)(=O)CC(C)(C)C(=O)N[C@@H](CC(N)=O)C#N)c12 |r| Show InChI InChI=1S/C23H25N5O4S/c1-23(2,22(30)27-17(12-24)11-20(25)29)14-33(31,32)18-9-7-15(8-10-18)19-6-4-5-16-13-26-28(3)21(16)19/h4-10,13,17H,11,14H2,1-3H3,(H2,25,29)(H,27,30)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...				Bioorg Med Chem Lett 29: 1546-1548 (2019) Article DOI: 10.1016/j.bmcl.2019.03.019 BindingDB Entry DOI: 10.7270/Q2CV4N2X
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50510318 (CHEMBL4438891) Show SMILES Cn1cc2cc(ccc2n1)-c1ccc(cc1)S(=O)(=O)CC(C)(C)C(=O)N[C@@H](CC(N)=O)C#N |r| Show InChI InChI=1S/C23H25N5O4S/c1-23(2,22(30)26-18(12-24)11-21(25)29)14-33(31,32)19-7-4-15(5-8-19)16-6-9-20-17(10-16)13-28(3)27-20/h4-10,13,18H,11,14H2,1-3H3,(H2,25,29)(H,26,30)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...				Bioorg Med Chem Lett 29: 1546-1548 (2019) Article DOI: 10.1016/j.bmcl.2019.03.019 BindingDB Entry DOI: 10.7270/Q2CV4N2X
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50510331 (CHEMBL4556228) Show SMILES CC(C)(CS(=O)(=O)c1ccccc1-c1ccc2ncsc2c1)C(=O)N[C@@H](CC(N)=O)C#N |r| Show InChI InChI=1S/C22H22N4O4S2/c1-22(2,21(28)26-15(11-23)10-20(24)27)12-32(29,30)19-6-4-3-5-16(19)14-7-8-17-18(9-14)31-13-25-17/h3-9,13,15H,10,12H2,1-2H3,(H2,24,27)(H,26,28)/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...				Bioorg Med Chem Lett 29: 1546-1548 (2019) Article DOI: 10.1016/j.bmcl.2019.03.019 BindingDB Entry DOI: 10.7270/Q2CV4N2X
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50015362 (CHEMBL3264590) Show SMILES CCOc1cccc(c1)-c1ccc(COC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C#N)cc1 |r| Show InChI InChI=1S/C25H28N4O5/c1-2-33-21-6-3-5-19(13-21)18-10-8-17(9-11-18)16-34-25(32)29-12-4-7-22(29)24(31)28-20(15-26)14-23(27)30/h3,5-6,8-11,13,20,22H,2,4,7,12,14,16H2,1H3,(H2,27,30)(H,28,31)/t20-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate				Bioorg Med Chem Lett 24: 2521-4 (2014) Article DOI: 10.1016/j.bmcl.2014.04.002 BindingDB Entry DOI: 10.7270/Q2QC052W
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50510316 (CHEMBL4549828) Show SMILES CC(C)(CS(=O)(=O)c1ccc(cc1)-c1cccc(F)c1)C(=O)N[C@@H](CC(N)=O)C#N |r| Show InChI InChI=1S/C21H22FN3O4S/c1-21(2,20(27)25-17(12-23)11-19(24)26)13-30(28,29)18-8-6-14(7-9-18)15-4-3-5-16(22)10-15/h3-10,17H,11,13H2,1-2H3,(H2,24,26)(H,25,27)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...				Bioorg Med Chem Lett 29: 1546-1548 (2019) Article DOI: 10.1016/j.bmcl.2019.03.019 BindingDB Entry DOI: 10.7270/Q2CV4N2X
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50510339 (CHEMBL4547118) Show SMILES CC(C)(C)c1ccc(cn1)-c1ccc(cc1)S(=O)(=O)CC(C)(C)C(=O)N[C@@H](CC(N)=O)C#N |r| Show InChI InChI=1S/C24H30N4O4S/c1-23(2,3)20-11-8-17(14-27-20)16-6-9-19(10-7-16)33(31,32)15-24(4,5)22(30)28-18(13-25)12-21(26)29/h6-11,14,18H,12,15H2,1-5H3,(H2,26,29)(H,28,30)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...				Bioorg Med Chem Lett 29: 1546-1548 (2019) Article DOI: 10.1016/j.bmcl.2019.03.019 BindingDB Entry DOI: 10.7270/Q2CV4N2X
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50015361 (CHEMBL3264589) Show SMILES COc1cccc(c1)-c1ccc(COC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C#N)cc1 |r| Show InChI InChI=1S/C24H26N4O5/c1-32-20-5-2-4-18(12-20)17-9-7-16(8-10-17)15-33-24(31)28-11-3-6-21(28)23(30)27-19(14-25)13-22(26)29/h2,4-5,7-10,12,19,21H,3,6,11,13,15H2,1H3,(H2,26,29)(H,27,30)/t19-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate				Bioorg Med Chem Lett 24: 2521-4 (2014) Article DOI: 10.1016/j.bmcl.2014.04.002 BindingDB Entry DOI: 10.7270/Q2QC052W
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50510329 (CHEMBL4474978) Show SMILES Cn1ncc2cc(ccc12)-c1ccc(cc1)S(=O)(=O)CC(C)(C)C(=O)N[C@@H](CC(N)=O)C#N |r| Show InChI InChI=1S/C23H25N5O4S/c1-23(2,22(30)27-18(12-24)11-21(25)29)14-33(31,32)19-7-4-15(5-8-19)16-6-9-20-17(10-16)13-26-28(20)3/h4-10,13,18H,11,14H2,1-3H3,(H2,25,29)(H,27,30)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...				Bioorg Med Chem Lett 29: 1546-1548 (2019) Article DOI: 10.1016/j.bmcl.2019.03.019 BindingDB Entry DOI: 10.7270/Q2CV4N2X
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50015348 (CHEMBL3264578) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1ccc(F)cc1)C#N |r| Show InChI InChI=1S/C23H23FN4O4/c24-18-9-7-17(8-10-18)16-5-3-15(4-6-16)14-32-23(31)28-11-1-2-20(28)22(30)27-19(13-25)12-21(26)29/h3-10,19-20H,1-2,11-12,14H2,(H2,26,29)(H,27,30)/t19-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate				Bioorg Med Chem Lett 24: 2521-4 (2014) Article DOI: 10.1016/j.bmcl.2014.04.002 BindingDB Entry DOI: 10.7270/Q2QC052W
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50499753 (CHEMBL3741471) Show SMILES CC(C)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C#N |r| Show InChI InChI=1S/C24H28N4O4S/c1-16(2)17-5-7-18(8-6-17)19-9-11-21(12-10-19)33(31,32)28-13-3-4-22(28)24(30)27-20(15-25)14-23(26)29/h5-12,16,20,22H,3-4,13-14H2,1-2H3,(H2,26,29)(H,27,30)/t20-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-MCA substrate measured every 2 mins for 60 mins by microplate reader analysis				Bioorg Med Chem Lett 25: 5642-5 (2015) Article DOI: 10.1016/j.bmcl.2015.10.001 BindingDB Entry DOI: 10.7270/Q2280BM6
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50510333 (CHEMBL4472825) Show SMILES CC(C)(CS(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N[C@@H](CC(N)=O)C#N |r| Show InChI InChI=1S/C21H22FN3O4S/c1-21(2,20(27)25-17(12-23)11-19(24)26)13-30(28,29)18-9-5-15(6-10-18)14-3-7-16(22)8-4-14/h3-10,17H,11,13H2,1-2H3,(H2,24,26)(H,25,27)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...				Bioorg Med Chem Lett 29: 1546-1548 (2019) Article DOI: 10.1016/j.bmcl.2019.03.019 BindingDB Entry DOI: 10.7270/Q2CV4N2X
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50499733 (CHEMBL3740378) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(c(Cl)c1)-c1ccc(Cl)cc1)C#N |r| Show InChI InChI=1S/C21H20Cl2N4O4S/c22-14-5-3-13(4-6-14)17-8-7-16(11-18(17)23)32(30,31)27-9-1-2-19(27)21(29)26-15(12-24)10-20(25)28/h3-8,11,15,19H,1-2,9-10H2,(H2,25,28)(H,26,29)/t15-,19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-MCA substrate measured every 2 mins for 60 mins by microplate reader analysis				Bioorg Med Chem Lett 25: 5642-5 (2015) Article DOI: 10.1016/j.bmcl.2015.10.001 BindingDB Entry DOI: 10.7270/Q2280BM6
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50499738 (CHEMBL3740153) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C#N |r| Show InChI InChI=1S/C22H24N4O5S/c1-31-18-8-4-15(5-9-18)16-6-10-19(11-7-16)32(29,30)26-12-2-3-20(26)22(28)25-17(14-23)13-21(24)27/h4-11,17,20H,2-3,12-13H2,1H3,(H2,24,27)(H,25,28)/t17-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-MCA substrate measured every 2 mins for 60 mins by microplate reader analysis				Bioorg Med Chem Lett 25: 5642-5 (2015) Article DOI: 10.1016/j.bmcl.2015.10.001 BindingDB Entry DOI: 10.7270/Q2280BM6
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50510320 (CHEMBL4452627) Show SMILES CC(C)(CS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)C(=O)N[C@@H](CC(N)=O)C#N |r| Show InChI InChI=1S/C21H22ClN3O4S/c1-21(2,20(27)25-17(12-23)11-19(24)26)13-30(28,29)18-9-5-15(6-10-18)14-3-7-16(22)8-4-14/h3-10,17H,11,13H2,1-2H3,(H2,24,26)(H,25,27)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...				Bioorg Med Chem Lett 29: 1546-1548 (2019) Article DOI: 10.1016/j.bmcl.2019.03.019 BindingDB Entry DOI: 10.7270/Q2CV4N2X
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50015363 (CHEMBL3264591) Show SMILES CC(C)Oc1cccc(c1)-c1ccc(COC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C#N)cc1 |r| Show InChI InChI=1S/C26H30N4O5/c1-17(2)35-22-6-3-5-20(13-22)19-10-8-18(9-11-19)16-34-26(33)30-12-4-7-23(30)25(32)29-21(15-27)14-24(28)31/h3,5-6,8-11,13,17,21,23H,4,7,12,14,16H2,1-2H3,(H2,28,31)(H,29,32)/t21-,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate				Bioorg Med Chem Lett 24: 2521-4 (2014) Article DOI: 10.1016/j.bmcl.2014.04.002 BindingDB Entry DOI: 10.7270/Q2QC052W
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50015353 (CHEMBL3264583) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1cccc(Cl)c1)C#N |r| Show InChI InChI=1S/C23H23ClN4O4/c24-18-4-1-3-17(11-18)16-8-6-15(7-9-16)14-32-23(31)28-10-2-5-20(28)22(30)27-19(13-25)12-21(26)29/h1,3-4,6-9,11,19-20H,2,5,10,12,14H2,(H2,26,29)(H,27,30)/t19-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate				Bioorg Med Chem Lett 24: 2521-4 (2014) Article DOI: 10.1016/j.bmcl.2014.04.002 BindingDB Entry DOI: 10.7270/Q2QC052W
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50015365 (CHEMBL3264593) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1ccc(Cl)nc1)C#N |r| Show InChI InChI=1S/C22H22ClN5O4/c23-19-8-7-16(12-26-19)15-5-3-14(4-6-15)13-32-22(31)28-9-1-2-18(28)21(30)27-17(11-24)10-20(25)29/h3-8,12,17-18H,1-2,9-10,13H2,(H2,25,29)(H,27,30)/t17-,18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate				Bioorg Med Chem Lett 24: 2521-4 (2014) Article DOI: 10.1016/j.bmcl.2014.04.002 BindingDB Entry DOI: 10.7270/Q2QC052W
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50510330 (CHEMBL4469392) Show SMILES Cn1ccc2cc(ccc12)-c1ccc(cc1)S(=O)(=O)CC(C)(C)C(=O)N[C@@H](CC(N)=O)C#N |r| Show InChI InChI=1S/C24H26N4O4S/c1-24(2,23(30)27-19(14-25)13-22(26)29)15-33(31,32)20-7-4-16(5-8-20)17-6-9-21-18(12-17)10-11-28(21)3/h4-12,19H,13,15H2,1-3H3,(H2,26,29)(H,27,30)/t19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...				Bioorg Med Chem Lett 29: 1546-1548 (2019) Article DOI: 10.1016/j.bmcl.2019.03.019 BindingDB Entry DOI: 10.7270/Q2CV4N2X
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50510327 (CHEMBL4516598) Show SMILES CC(C)(CS(=O)(=O)c1ccc(cc1)-c1cncc(c1)C(F)(F)F)C(=O)N[C@@H](CC(N)=O)C#N |r| Show InChI InChI=1S/C21H21F3N4O4S/c1-20(2,19(30)28-16(9-25)8-18(26)29)12-33(31,32)17-5-3-13(4-6-17)14-7-15(11-27-10-14)21(22,23)24/h3-7,10-11,16H,8,12H2,1-2H3,(H2,26,29)(H,28,30)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...				Bioorg Med Chem Lett 29: 1546-1548 (2019) Article DOI: 10.1016/j.bmcl.2019.03.019 BindingDB Entry DOI: 10.7270/Q2CV4N2X
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50015351 (CHEMBL3264581) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1ccc(F)c(F)c1)C#N |r| Show InChI InChI=1S/C23H22F2N4O4/c24-18-8-7-16(10-19(18)25)15-5-3-14(4-6-15)13-33-23(32)29-9-1-2-20(29)22(31)28-17(12-26)11-21(27)30/h3-8,10,17,20H,1-2,9,11,13H2,(H2,27,30)(H,28,31)/t17-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate				Bioorg Med Chem Lett 24: 2521-4 (2014) Article DOI: 10.1016/j.bmcl.2014.04.002 BindingDB Entry DOI: 10.7270/Q2QC052W
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50510326 (CHEMBL4517035) Show SMILES CC(C)(CS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)nc1)C(=O)N[C@@H](CC(N)=O)C#N |r| Show InChI InChI=1S/C20H21ClN4O4S/c1-20(2,19(27)25-15(10-22)9-18(23)26)12-30(28,29)16-6-3-13(4-7-16)14-5-8-17(21)24-11-14/h3-8,11,15H,9,12H2,1-2H3,(H2,23,26)(H,25,27)/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...				Bioorg Med Chem Lett 29: 1546-1548 (2019) Article DOI: 10.1016/j.bmcl.2019.03.019 BindingDB Entry DOI: 10.7270/Q2CV4N2X
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50499736 (CHEMBL3740601) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1)C#N |r| Show InChI InChI=1S/C21H22N4O4S/c22-14-17(13-20(23)26)24-21(27)19-7-4-12-25(19)30(28,29)18-10-8-16(9-11-18)15-5-2-1-3-6-15/h1-3,5-6,8-11,17,19H,4,7,12-13H2,(H2,23,26)(H,24,27)/t17-,19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-MCA substrate measured every 2 mins for 60 mins by microplate reader analysis				Bioorg Med Chem Lett 25: 5642-5 (2015) Article DOI: 10.1016/j.bmcl.2015.10.001 BindingDB Entry DOI: 10.7270/Q2280BM6
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50510340 (CHEMBL4462167) Show SMILES Cc1cncc(c1)-c1ccc(cc1)S(=O)(=O)CC(C)(C)C(=O)N[C@@H](CC(N)=O)C#N |r| Show InChI InChI=1S/C21H24N4O4S/c1-14-8-16(12-24-11-14)15-4-6-18(7-5-15)30(28,29)13-21(2,3)20(27)25-17(10-22)9-19(23)26/h4-8,11-12,17H,9,13H2,1-3H3,(H2,23,26)(H,25,27)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...				Bioorg Med Chem Lett 29: 1546-1548 (2019) Article DOI: 10.1016/j.bmcl.2019.03.019 BindingDB Entry DOI: 10.7270/Q2CV4N2X
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50510336 (CHEMBL4473369) Show SMILES CC(C)(CS(=O)(=O)c1ccc(cc1)-c1cncc(Cl)c1)C(=O)N[C@@H](CC(N)=O)C#N |r| Show InChI InChI=1S/C20H21ClN4O4S/c1-20(2,19(27)25-16(9-22)8-18(23)26)12-30(28,29)17-5-3-13(4-6-17)14-7-15(21)11-24-10-14/h3-7,10-11,16H,8,12H2,1-2H3,(H2,23,26)(H,25,27)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...				Bioorg Med Chem Lett 29: 1546-1548 (2019) Article DOI: 10.1016/j.bmcl.2019.03.019 BindingDB Entry DOI: 10.7270/Q2CV4N2X
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50015359 (CHEMBL3264587) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C#N |r| Show InChI InChI=1S/C24H23F3N4O4/c25-24(26,27)18-9-7-17(8-10-18)16-5-3-15(4-6-16)14-35-23(34)31-11-1-2-20(31)22(33)30-19(13-28)12-21(29)32/h3-10,19-20H,1-2,11-12,14H2,(H2,29,32)(H,30,33)/t19-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate				Bioorg Med Chem Lett 24: 2521-4 (2014) Article DOI: 10.1016/j.bmcl.2014.04.002 BindingDB Entry DOI: 10.7270/Q2QC052W
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50015339 (CHEMBL3264272) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1ccccc1)C#N |r| Show InChI InChI=1S/C23H24N4O4/c24-14-19(13-21(25)28)26-22(29)20-7-4-12-27(20)23(30)31-15-16-8-10-18(11-9-16)17-5-2-1-3-6-17/h1-3,5-6,8-11,19-20H,4,7,12-13,15H2,(H2,25,28)(H,26,29)/t19-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate				Bioorg Med Chem Lett 24: 2521-4 (2014) Article DOI: 10.1016/j.bmcl.2014.04.002 BindingDB Entry DOI: 10.7270/Q2QC052W
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50510342 (CHEMBL4446264) Show SMILES CC(C)(CS(=O)(=O)c1ccc(cc1)-c1ccc(nc1)C(F)(F)F)C(=O)N[C@@H](CC(N)=O)C#N |r| Show InChI InChI=1S/C21H21F3N4O4S/c1-20(2,19(30)28-15(10-25)9-18(26)29)12-33(31,32)16-6-3-13(4-7-16)14-5-8-17(27-11-14)21(22,23)24/h3-8,11,15H,9,12H2,1-2H3,(H2,26,29)(H,28,30)/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...				Bioorg Med Chem Lett 29: 1546-1548 (2019) Article DOI: 10.1016/j.bmcl.2019.03.019 BindingDB Entry DOI: 10.7270/Q2CV4N2X
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50499745 (CHEMBL3741267) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1F)-c1ccc(F)cc1)C#N |r| Show InChI InChI=1S/C21H20F2N4O4S/c22-15-6-3-13(4-7-15)14-5-8-19(17(23)10-14)32(30,31)27-9-1-2-18(27)21(29)26-16(12-24)11-20(25)28/h3-8,10,16,18H,1-2,9,11H2,(H2,25,28)(H,26,29)/t16-,18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-MCA substrate measured every 2 mins for 60 mins by microplate reader analysis				Bioorg Med Chem Lett 25: 5642-5 (2015) Article DOI: 10.1016/j.bmcl.2015.10.001 BindingDB Entry DOI: 10.7270/Q2280BM6
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50510328 (CHEMBL4549915) Show SMILES Cc1ccc(cn1)-c1ccc(cc1)S(=O)(=O)CC(C)(C)C(=O)N[C@@H](CC(N)=O)C#N |r| Show InChI InChI=1S/C21H24N4O4S/c1-14-4-5-16(12-24-14)15-6-8-18(9-7-15)30(28,29)13-21(2,3)20(27)25-17(11-22)10-19(23)26/h4-9,12,17H,10,13H2,1-3H3,(H2,23,26)(H,25,27)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...				Bioorg Med Chem Lett 29: 1546-1548 (2019) Article DOI: 10.1016/j.bmcl.2019.03.019 BindingDB Entry DOI: 10.7270/Q2CV4N2X
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50015341 (CHEMBL3264274) Show SMILES Cc1ccc(cc1)-c1ccc(COC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C#N)cc1 |r| Show InChI InChI=1S/C24H26N4O4/c1-16-4-8-18(9-5-16)19-10-6-17(7-11-19)15-32-24(31)28-12-2-3-21(28)23(30)27-20(14-25)13-22(26)29/h4-11,20-21H,2-3,12-13,15H2,1H3,(H2,26,29)(H,27,30)/t20-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate				Bioorg Med Chem Lett 24: 2521-4 (2014) Article DOI: 10.1016/j.bmcl.2014.04.002 BindingDB Entry DOI: 10.7270/Q2QC052W
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50015350 (CHEMBL3264580) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1cccc(F)c1F)C#N |r| Show InChI InChI=1S/C23H22F2N4O4/c24-18-4-1-3-17(21(18)25)15-8-6-14(7-9-15)13-33-23(32)29-10-2-5-19(29)22(31)28-16(12-26)11-20(27)30/h1,3-4,6-9,16,19H,2,5,10-11,13H2,(H2,27,30)(H,28,31)/t16-,19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate				Bioorg Med Chem Lett 24: 2521-4 (2014) Article DOI: 10.1016/j.bmcl.2014.04.002 BindingDB Entry DOI: 10.7270/Q2QC052W
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50499754 (CHEMBL3740253) Show SMILES Cc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C#N |r| Show InChI InChI=1S/C22H24N4O4S/c1-15-4-6-16(7-5-15)17-8-10-19(11-9-17)31(29,30)26-12-2-3-20(26)22(28)25-18(14-23)13-21(24)27/h4-11,18,20H,2-3,12-13H2,1H3,(H2,24,27)(H,25,28)/t18-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-MCA substrate measured every 2 mins for 60 mins by microplate reader analysis				Bioorg Med Chem Lett 25: 5642-5 (2015) Article DOI: 10.1016/j.bmcl.2015.10.001 BindingDB Entry DOI: 10.7270/Q2280BM6
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50510321 (CHEMBL4520269) Show SMILES CC(C)(CS(=O)(=O)c1ccc(cc1)-c1cccc(F)c1F)C(=O)N[C@@H](CC(N)=O)C#N |r| Show InChI InChI=1S/C21H21F2N3O4S/c1-21(2,20(28)26-14(11-24)10-18(25)27)12-31(29,30)15-8-6-13(7-9-15)16-4-3-5-17(22)19(16)23/h3-9,14H,10,12H2,1-2H3,(H2,25,27)(H,26,28)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate ...				Bioorg Med Chem Lett 29: 1546-1548 (2019) Article DOI: 10.1016/j.bmcl.2019.03.019 BindingDB Entry DOI: 10.7270/Q2CV4N2X
					More data for this Ligand-Target Pair

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