Compile Data Set for Download or QSAR

Found 44 hits with Last Name = 'bouzzaoui' and Initial = 's'   

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
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))	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))	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))	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))	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))	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))	BDBM50499741 (CHEMBL3739994) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1)C#N |r| Show InChI InChI=1S/C21H21FN4O4S/c22-16-7-3-14(4-8-16)15-5-9-18(10-6-15)31(29,30)26-11-1-2-19(26)21(28)25-17(13-23)12-20(24)27/h3-10,17,19H,1-2,11-12H2,(H2,24,27)(H,25,28)/t17-,19-/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-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))	BDBM50499730 (CHEMBL3740368) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C#N)C#N |r| Show InChI InChI=1S/C22H21N5O4S/c23-13-15-3-5-16(6-4-15)17-7-9-19(10-8-17)32(30,31)27-11-1-2-20(27)22(29)26-18(14-24)12-21(25)28/h3-10,18,20H,1-2,11-12H2,(H2,25,28)(H,26,29)/t18-,20-/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-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))	BDBM50499746 (CHEMBL3739537) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1Cl)C#N |r| Show InChI InChI=1S/C21H21ClN4O4S/c22-18-5-2-1-4-17(18)14-7-9-16(10-8-14)31(29,30)26-11-3-6-19(26)21(28)25-15(13-23)12-20(24)27/h1-2,4-5,7-10,15,19H,3,6,11-12H2,(H2,24,27)(H,25,28)/t15-,19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	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))	BDBM50499734 (CHEMBL3741072) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)C#N |r| Show InChI InChI=1S/C21H21ClN4O4S/c22-16-7-3-14(4-8-16)15-5-9-18(10-6-15)31(29,30)26-11-1-2-19(26)21(28)25-17(13-23)12-20(24)27/h3-10,17,19H,1-2,11-12H2,(H2,24,27)(H,25,28)/t17-,19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	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))	BDBM50499735 (CHEMBL3740206) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1cccc(F)c1)C#N |r| Show InChI InChI=1S/C21H21FN4O4S/c22-16-4-1-3-15(11-16)14-6-8-18(9-7-14)31(29,30)26-10-2-5-19(26)21(28)25-17(13-23)12-20(24)27/h1,3-4,6-9,11,17,19H,2,5,10,12H2,(H2,24,27)(H,25,28)/t17-,19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	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))	BDBM50499750 (CHEMBL3741002) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccc2OCOc2c1)C#N |r| Show InChI InChI=1S/C22H22N4O6S/c23-12-16(11-21(24)27)25-22(28)18-2-1-9-26(18)33(29,30)17-6-3-14(4-7-17)15-5-8-19-20(10-15)32-13-31-19/h3-8,10,16,18H,1-2,9,11,13H2,(H2,24,27)(H,25,28)/t16-,18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	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))	BDBM50499740 (CHEMBL3740166) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(c(F)c1)-c1ccc(F)cc1)C#N |r| Show InChI InChI=1S/C21H20F2N4O4S/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	67	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))	BDBM50499751 (CHEMBL3742051) Show SMILES CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C#N |r| Show InChI InChI=1S/C23H26N4O4S/c1-2-16-5-7-17(8-6-16)18-9-11-20(12-10-18)32(30,31)27-13-3-4-21(27)23(29)26-19(15-24)14-22(25)28/h5-12,19,21H,2-4,13-14H2,1H3,(H2,25,28)(H,26,29)/t19-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	71	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))	BDBM50499737 (CHEMBL3741594) Show SMILES CC(C)(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/C25H30N4O4S/c1-25(2,3)19-10-6-17(7-11-19)18-8-12-21(13-9-18)34(32,33)29-14-4-5-22(29)24(31)28-20(16-26)15-23(27)30/h6-13,20,22H,4-5,14-15H2,1-3H3,(H2,27,30)(H,28,31)/t20-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	71	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))	BDBM50499732 (CHEMBL3742365) Show SMILES CCOc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C#N |r| Show InChI InChI=1S/C23H26N4O5S/c1-2-32-19-9-5-16(6-10-19)17-7-11-20(12-8-17)33(30,31)27-13-3-4-21(27)23(29)26-18(15-24)14-22(25)28/h5-12,18,21H,2-4,13-14H2,1H3,(H2,25,28)(H,26,29)/t18-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	73	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))	BDBM50499727 (CHEMBL3740719) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)C#N |r| Show InChI InChI=1S/C15H17ClN4O4S/c16-10-3-5-12(6-4-10)25(23,24)20-7-1-2-13(20)15(22)19-11(9-17)8-14(18)21/h3-6,11,13H,1-2,7-8H2,(H2,18,21)(H,19,22)/t11-,13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	73	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))	BDBM50499755 (CHEMBL3741666) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1cccc(c1)C(F)(F)F)C#N |r| Show InChI InChI=1S/C22H21F3N4O4S/c23-22(24,25)16-4-1-3-15(11-16)14-6-8-18(9-7-14)34(32,33)29-10-2-5-19(29)21(31)28-17(13-26)12-20(27)30/h1,3-4,6-9,11,17,19H,2,5,10,12H2,(H2,27,30)(H,28,31)/t17-,19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	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))	BDBM50499752 (CHEMBL3740086) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C#N |r| Show InChI InChI=1S/C22H21F3N4O4S/c23-22(24,25)16-7-3-14(4-8-16)15-5-9-18(10-6-15)34(32,33)29-11-1-2-19(29)21(31)28-17(13-26)12-20(27)30/h3-10,17,19H,1-2,11-12H2,(H2,27,30)(H,28,31)/t17-,19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	121	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))	BDBM50499742 (CHEMBL3739853) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1Cl)-c1ccc(Cl)cc1)C#N |r| Show InChI InChI=1S/C21H20Cl2N4O4S/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	169	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))	BDBM50499729 (CHEMBL3739555) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)C#N |r| Show InChI InChI=1S/C15H17FN4O4S/c16-10-3-5-12(6-4-10)25(23,24)20-7-1-2-13(20)15(22)19-11(9-17)8-14(18)21/h3-6,11,13H,1-2,7-8H2,(H2,18,21)(H,19,22)/t11-,13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	269	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))	BDBM50499749 (CHEMBL3741126) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1)C#N |r| Show InChI InChI=1S/C15H17BrN4O4S/c16-10-3-5-12(6-4-10)25(23,24)20-7-1-2-13(20)15(22)19-11(9-17)8-14(18)21/h3-6,11,13H,1-2,7-8H2,(H2,18,21)(H,19,22)/t11-,13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	282	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))	BDBM50499747 (CHEMBL3739710) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)C(F)(F)F)C#N |r| Show InChI InChI=1S/C16H17F3N4O4S/c17-16(18,19)10-3-5-12(6-4-10)28(26,27)23-7-1-2-13(23)15(25)22-11(9-20)8-14(21)24/h3-6,11,13H,1-2,7-8H2,(H2,21,24)(H,22,25)/t11-,13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	332	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))	BDBM50499748 (CHEMBL3742218) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1Cl)C#N |r| Show InChI InChI=1S/C15H16Cl2N4O4S/c16-9-3-4-13(11(17)6-9)26(24,25)21-5-1-2-12(21)15(23)20-10(8-18)7-14(19)22/h3-4,6,10,12H,1-2,5,7H2,(H2,19,22)(H,20,23)/t10-,12-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	593	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))	BDBM50499744 (CHEMBL3740796) Show SMILES CC(C)Oc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C#N |r| Show InChI InChI=1S/C24H28N4O5S/c1-16(2)33-20-9-5-17(6-10-20)18-7-11-21(12-8-18)34(31,32)28-13-3-4-22(28)24(30)27-19(15-25)14-23(26)29/h5-12,16,19,22H,3-4,13-14H2,1-2H3,(H2,26,29)(H,27,30)/t19-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	969	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))	BDBM50499739 (CHEMBL3742108) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C#N |r| Show InChI InChI=1S/C19H26N4O4S/c1-19(2,3)13-6-8-15(9-7-13)28(26,27)23-10-4-5-16(23)18(25)22-14(12-20)11-17(21)24/h6-9,14,16H,4-5,10-11H2,1-3H3,(H2,21,24)(H,22,25)/t14-,16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	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))	BDBM50499728 (CHEMBL3742323) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C#N |r| Show InChI InChI=1S/C16H20N4O5S/c1-25-12-4-6-13(7-5-12)26(23,24)20-8-2-3-14(20)16(22)19-11(10-17)9-15(18)21/h4-7,11,14H,2-3,8-9H2,1H3,(H2,18,21)(H,19,22)/t11-,14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	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))	BDBM50499743 (CHEMBL3741394) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)C#N |r| Show InChI InChI=1S/C15H16Cl2N4O4S/c16-11-4-3-10(7-12(11)17)26(24,25)21-5-1-2-13(21)15(23)20-9(8-18)6-14(19)22/h3-4,7,9,13H,1-2,5-6H2,(H2,19,22)(H,20,23)/t9-,13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	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))	BDBM50499731 (CHEMBL3741481) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccc(OC(F)(F)F)cc1)C#N |r| Show InChI InChI=1S/C22H21F3N4O5S/c23-22(24,25)34-17-7-3-14(4-8-17)15-5-9-18(10-6-15)35(32,33)29-11-1-2-19(29)21(31)28-16(13-26)12-20(27)30/h3-10,16,19H,1-2,11-12H2,(H2,27,30)(H,28,31)/t16-,19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	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
Cathepsin S (Homo sapiens (Human))	BDBM50499737 (CHEMBL3741594) Show SMILES CC(C)(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/C25H30N4O4S/c1-25(2,3)19-10-6-17(7-11-19)18-8-12-21(13-9-18)34(32,33)29-14-4-5-22(29)24(31)28-20(16-26)15-23(27)30/h6-13,20,22H,4-5,14-15H2,1-3H3,(H2,27,30)(H,28,31)/t20-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant cathepsin S (unknown origin) using ZVVR-AMC fluorogenic substrate				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
Cathepsin B (Homo sapiens (Human))	BDBM50499737 (CHEMBL3741594) Show SMILES CC(C)(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/C25H30N4O4S/c1-25(2,3)19-10-6-17(7-11-19)18-8-12-21(13-9-18)34(32,33)29-14-4-5-22(29)24(31)28-20(16-26)15-23(27)30/h6-13,20,22H,4-5,14-15H2,1-3H3,(H2,27,30)(H,28,31)/t20-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant cathepsin B (unknown origin) using Z-Leu-Arg-AMC fluorogenic substrate				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
Caspase-3 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant caspase 3 (unknown origin) using DEVD-AFC fluorogenic substrate				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
Ubiquitin carboxyl-terminal hydrolase 17 (Homo sapiens)	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	UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	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
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of USP17 in human HEK293T cells using fluorogenic substrate ub-rhodamine110 preincubated for 30 mins followed by substrate addition measur...				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
Caspase-8 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant caspase 8 (unknown origin) using IETD-AFC fluorogenic substrate				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
Cathepsin B (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant cathepsin B (unknown origin) using Z-Leu-Arg-AMC fluorogenic substrate				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
Cathepsin S (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant cathepsin S (unknown origin) using ZVVR-AMC fluorogenic substrate				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
Cathepsin B (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant cathepsin B (unknown origin) using Z-Leu-Arg-AMC fluorogenic substrate				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
Caspase-3 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant caspase 3 (unknown origin) using DEVD-AFC fluorogenic substrate				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
Caspase-3 (Homo sapiens (Human))	BDBM50499737 (CHEMBL3741594) Show SMILES CC(C)(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/C25H30N4O4S/c1-25(2,3)19-10-6-17(7-11-19)18-8-12-21(13-9-18)34(32,33)29-14-4-5-22(29)24(31)28-20(16-26)15-23(27)30/h6-13,20,22H,4-5,14-15H2,1-3H3,(H2,27,30)(H,28,31)/t20-,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant caspase 3 (unknown origin) using DEVD-AFC fluorogenic substrate				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
Caspase-8 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant caspase 8 (unknown origin) using IETD-AFC fluorogenic substrate				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
Ubiquitin carboxyl-terminal hydrolase 17 (Homo sapiens)	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	UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	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
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of USP17 in human HEK293T cells using fluorogenic substrate ub-rhodamine110 preincubated for 30 mins followed by substrate addition measur...				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
Cathepsin S (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant cathepsin S (unknown origin) using ZVVR-AMC fluorogenic substrate				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
Caspase-8 (Homo sapiens (Human))	BDBM50499737 (CHEMBL3741594) Show SMILES CC(C)(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/C25H30N4O4S/c1-25(2,3)19-10-6-17(7-11-19)18-8-12-21(13-9-18)34(32,33)29-14-4-5-22(29)24(31)28-20(16-26)15-23(27)30/h6-13,20,22H,4-5,14-15H2,1-3H3,(H2,27,30)(H,28,31)/t20-,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant caspase 8 (unknown origin) using IETD-AFC fluorogenic substrate				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
Ubiquitin carboxyl-terminal hydrolase 17 (Homo sapiens)	BDBM50499737 (CHEMBL3741594) Show SMILES CC(C)(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/C25H30N4O4S/c1-25(2,3)19-10-6-17(7-11-19)18-8-12-21(13-9-18)34(32,33)29-14-4-5-22(29)24(31)28-20(16-26)15-23(27)30/h6-13,20,22H,4-5,14-15H2,1-3H3,(H2,27,30)(H,28,31)/t20-,22-/m0/s1	UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	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
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of USP17 in human HEK293T cells using fluorogenic substrate ub-rhodamine110 preincubated for 30 mins followed by substrate addition measur...				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