Compile Data Set for Download or QSAR

Found 129 hits with Last Name = 'graziani' and Initial = 'r'   

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 K (Homo sapiens (Human))	BDBM50461260 (CHEMBL4228926) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NC1(CCS(=O)(=O)CC1)C#N |r| Show InChI InChI=1S/C25H29N3O4S/c1-18(2)16-22(24(30)28-25(17-26)12-14-33(31,32)15-13-25)27-23(29)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18,22H,12-16H2,1-2H3,(H,27,29)(H,28,30)/t22-/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	0.110	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50461249 (CHEMBL1215628) Show SMILES CC(C)CN(NC(=O)c1ccc(CN2CCN(C)CC2)cc1)c1nc(ncc1Br)C#N Show InChI InChI=1S/C22H28BrN7O/c1-16(2)14-30(21-19(23)13-25-20(12-24)26-21)27-22(31)18-6-4-17(5-7-18)15-29-10-8-28(3)9-11-29/h4-7,13,16H,8-11,14-15H2,1-3H3,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461249 (CHEMBL1215628) Show SMILES CC(C)CN(NC(=O)c1ccc(CN2CCN(C)CC2)cc1)c1nc(ncc1Br)C#N Show InChI InChI=1S/C22H28BrN7O/c1-16(2)14-30(21-19(23)13-25-20(12-24)26-21)27-22(31)18-6-4-17(5-7-18)15-29-10-8-28(3)9-11-29/h4-7,13,16H,8-11,14-15H2,1-3H3,(H,27,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50461249 (CHEMBL1215628) Show SMILES CC(C)CN(NC(=O)c1ccc(CN2CCN(C)CC2)cc1)c1nc(ncc1Br)C#N Show InChI InChI=1S/C22H28BrN7O/c1-16(2)14-30(21-19(23)13-25-20(12-24)26-21)27-22(31)18-6-4-17(5-7-18)15-29-10-8-28(3)9-11-29/h4-7,13,16H,8-11,14-15H2,1-3H3,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of human cathepsin L				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50461256 (CHEMBL4228143) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(CN2CCN(C)CC2)cc1)C(=O)NC1(CCS(=O)(=O)CC1)C#N |r| Show InChI InChI=1S/C25H37N5O4S/c1-19(2)16-22(24(32)28-25(18-26)8-14-35(33,34)15-9-25)27-23(31)21-6-4-20(5-7-21)17-30-12-10-29(3)11-13-30/h4-7,19,22H,8-17H2,1-3H3,(H,27,31)(H,28,32)/t22-/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	1	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50461256 (CHEMBL4228143) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(CN2CCN(C)CC2)cc1)C(=O)NC1(CCS(=O)(=O)CC1)C#N |r| Show InChI InChI=1S/C25H37N5O4S/c1-19(2)16-22(24(32)28-25(18-26)8-14-35(33,34)15-9-25)27-23(31)21-6-4-20(5-7-21)17-30-12-10-29(3)11-13-30/h4-7,19,22H,8-17H2,1-3H3,(H,27,31)(H,28,32)/t22-/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	1	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50461260 (CHEMBL4228926) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NC1(CCS(=O)(=O)CC1)C#N |r| Show InChI InChI=1S/C25H29N3O4S/c1-18(2)16-22(24(30)28-25(17-26)12-14-33(31,32)15-13-25)27-23(29)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18,22H,12-16H2,1-2H3,(H,27,29)(H,28,30)/t22-/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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461265 (CHEMBL4226307) Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1cccnc1)NC(=O)c1cccc(c1)-c1cn[nH]c1 |r| Show InChI InChI=1S/C22H20N6O2/c23-14-22(6-7-22)28-21(30)19(9-15-3-2-8-24-11-15)27-20(29)17-5-1-4-16(10-17)18-12-25-26-13-18/h1-5,8,10-13,19H,6-7,9H2,(H,25,26)(H,27,29)(H,28,30)/t19-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50461248 (CHEMBL4227295) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C23H25N3O2/c1-16(2)14-20(22(28)26-23(15-24)12-13-23)25-21(27)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,16,20H,12-14H2,1-2H3,(H,25,27)(H,26,28)/t20-/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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50175036 (CHEMBL3809599) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C12CCN(CC1)CC2)c1ncc([nH]1)-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C18H11Cl2F3N2OS/c19-13-2-1-3-14(20)12(13)8-16-24-9-15(27-16)17(26)25-11-6-4-10(5-7-11)18(21,22)23/h1-7,9H,8H2,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce...				ACS Med Chem Lett 7: 454-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00468 BindingDB Entry DOI: 10.7270/Q2S184FM
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461271 (CHEMBL4224764) Show SMILES Cn1nc(cc1-c1ccc(s1)C(=O)N[C@@H](Cc1cccnc1)C(=O)NC1(CC1)C#N)C(F)(F)F |r| Show InChI InChI=1S/C22H19F3N6O2S/c1-31-15(10-18(30-31)22(23,24)25)16-4-5-17(34-16)20(33)28-14(9-13-3-2-8-27-11-13)19(32)29-21(12-26)6-7-21/h2-5,8,10-11,14H,6-7,9H2,1H3,(H,28,33)(H,29,32)/t14-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461272 (CHEMBL4227031) Show SMILES CN1CCN(Cc2ccc(cc2)-c2cncc(c2)C(=O)N[C@@H](Cc2cccnc2)C(=O)NC2(CC2)C#N)CC1 |r| Show InChI InChI=1S/C30H33N7O2/c1-36-11-13-37(14-12-36)20-22-4-6-24(7-5-22)25-16-26(19-33-18-25)28(38)34-27(15-23-3-2-10-32-17-23)29(39)35-30(21-31)8-9-30/h2-7,10,16-19,27H,8-9,11-15,20H2,1H3,(H,34,38)(H,35,39)/t27-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461269 (CHEMBL4227166) Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1cccnc1)NC(=O)c1cccc(c1)-c1ncc[nH]1 |r| Show InChI InChI=1S/C22H20N6O2/c23-14-22(6-7-22)28-21(30)18(11-15-3-2-8-24-13-15)27-20(29)17-5-1-4-16(12-17)19-25-9-10-26-19/h1-5,8-10,12-13,18H,6-7,11H2,(H,25,26)(H,27,29)(H,28,30)/t18-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461270 (CHEMBL4227486) Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1cccnc1)NC(=O)c1cccc(c1)-n1cnnn1 |r| Show InChI InChI=1S/C20H18N8O2/c21-12-20(6-7-20)25-19(30)17(9-14-3-2-8-22-11-14)24-18(29)15-4-1-5-16(10-15)28-13-23-26-27-28/h1-5,8,10-11,13,17H,6-7,9H2,(H,24,29)(H,25,30)/t17-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50461256 (CHEMBL4228143) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(CN2CCN(C)CC2)cc1)C(=O)NC1(CCS(=O)(=O)CC1)C#N |r| Show InChI InChI=1S/C25H37N5O4S/c1-19(2)16-22(24(32)28-25(18-26)8-14-35(33,34)15-9-25)27-23(31)21-6-4-20(5-7-21)17-30-12-10-29(3)11-13-30/h4-7,19,22H,8-17H2,1-3H3,(H,27,31)(H,28,32)/t22-/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	4	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of human cathepsin L				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461267 (CHEMBL4227427) Show SMILES Cn1nc(cc1-c1ccc(s1)C(=O)N[C@@H](Cc1cccnc1)C(=O)NC1(CCS(=O)(=O)CC1)C#N)C(F)(F)F |r| Show InChI InChI=1S/C24H23F3N6O4S2/c1-33-17(12-20(32-33)24(25,26)27)18-4-5-19(38-18)22(35)30-16(11-15-3-2-8-29-13-15)21(34)31-23(14-28)6-9-39(36,37)10-7-23/h2-5,8,12-13,16H,6-7,9-11H2,1H3,(H,30,35)(H,31,34)/t16-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461260 (CHEMBL4228926) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NC1(CCS(=O)(=O)CC1)C#N |r| Show InChI InChI=1S/C25H29N3O4S/c1-18(2)16-22(24(30)28-25(17-26)12-14-33(31,32)15-13-25)27-23(29)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18,22H,12-16H2,1-2H3,(H,27,29)(H,28,30)/t22-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461266 (CHEMBL4226577) Show SMILES CS(=O)(=O)c1cccc(c1)-c1cccc(c1)C(=O)N[C@@H](Cc1cccnc1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C26H24N4O4S/c1-35(33,34)22-9-3-7-20(15-22)19-6-2-8-21(14-19)24(31)29-23(13-18-5-4-12-28-16-18)25(32)30-26(17-27)10-11-26/h2-9,12,14-16,23H,10-11,13H2,1H3,(H,29,31)(H,30,32)/t23-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461264 (CHEMBL4227848) Show SMILES CN1CCCC(C1)c1cccc(c1)C(=O)N[C@@H](Cc1cccnc1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C25H29N5O2/c1-30-12-4-8-21(16-30)19-6-2-7-20(14-19)23(31)28-22(13-18-5-3-11-27-15-18)24(32)29-25(17-26)9-10-25/h2-3,5-7,11,14-15,21-22H,4,8-10,12-13,16H2,1H3,(H,28,31)(H,29,32)/t21?,22-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50461251 (CHEMBL4228920) Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1nc2ccccc2s1)NC(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C27H22N4O2S/c28-17-27(14-15-27)31-26(33)22(16-24-29-21-8-4-5-9-23(21)34-24)30-25(32)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-13,22H,14-16H2,(H,30,32)(H,31,33)/t22-/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	18	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461247 (CHEMBL4228861) Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1cccnc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C25H22N4O2/c26-17-25(12-13-25)29-24(31)22(15-18-5-4-14-27-16-18)28-23(30)21-10-8-20(9-11-21)19-6-2-1-3-7-19/h1-11,14,16,22H,12-13,15H2,(H,28,30)(H,29,31)/t22-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD 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
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461268 (CHEMBL4225350) Show SMILES CN1CCN(Cc2ccc(s2)C(=O)N[C@@H](Cc2cccnc2)C(=O)NC2(CC2)C#N)CC1 |r| Show InChI InChI=1S/C23H28N6O2S/c1-28-9-11-29(12-10-28)15-18-4-5-20(32-18)22(31)26-19(13-17-3-2-8-25-14-17)21(30)27-23(16-24)6-7-23/h2-5,8,14,19H,6-7,9-13,15H2,1H3,(H,26,31)(H,27,30)/t19-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD 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
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461248 (CHEMBL4227295) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C23H25N3O2/c1-16(2)14-20(22(28)26-23(15-24)12-13-23)25-21(27)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,16,20H,12-14H2,1-2H3,(H,25,27)(H,26,28)/t20-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50461249 (CHEMBL1215628) Show SMILES CC(C)CN(NC(=O)c1ccc(CN2CCN(C)CC2)cc1)c1nc(ncc1Br)C#N Show InChI InChI=1S/C22H28BrN7O/c1-16(2)14-30(21-19(23)13-25-20(12-24)26-21)27-22(31)18-6-4-17(5-7-18)15-29-10-8-28(3)9-11-29/h4-7,13,16H,8-11,14-15H2,1-3H3,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461273 (CHEMBL4227696) Show SMILES CN1CCN(Cc2ccc(s2)C(=O)N[C@@H](Cc2cccnc2)C(=O)NC2(CCS(=O)(=O)CC2)C#N)CC1 |r| Show InChI InChI=1S/C25H32N6O4S2/c1-30-9-11-31(12-10-30)17-20-4-5-22(36-20)24(33)28-21(15-19-3-2-8-27-16-19)23(32)29-25(18-26)6-13-37(34,35)14-7-25/h2-5,8,16,21H,6-7,9-15,17H2,1H3,(H,28,33)(H,29,32)/t21-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461256 (CHEMBL4228143) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(CN2CCN(C)CC2)cc1)C(=O)NC1(CCS(=O)(=O)CC1)C#N |r| Show InChI InChI=1S/C25H37N5O4S/c1-19(2)16-22(24(32)28-25(18-26)8-14-35(33,34)15-9-25)27-23(31)21-6-4-20(5-7-21)17-30-12-10-29(3)11-13-30/h4-7,19,22H,8-17H2,1-3H3,(H,27,31)(H,28,32)/t22-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50461248 (CHEMBL4227295) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C23H25N3O2/c1-16(2)14-20(22(28)26-23(15-24)12-13-23)25-21(27)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,16,20H,12-14H2,1-2H3,(H,25,27)(H,26,28)/t20-/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	85	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50461260 (CHEMBL4228926) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NC1(CCS(=O)(=O)CC1)C#N |r| Show InChI InChI=1S/C25H29N3O4S/c1-18(2)16-22(24(30)28-25(17-26)12-14-33(31,32)15-13-25)27-23(29)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18,22H,12-16H2,1-2H3,(H,27,29)(H,28,30)/t22-/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	99	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of human cathepsin L				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 3 (Plasmodium falciparum)	BDBM50461247 (CHEMBL4228861) Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1cccnc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C25H22N4O2/c26-17-25(12-13-25)29-24(31)22(15-18-5-4-14-27-16-18)28-23(30)21-10-8-20(9-11-21)19-6-2-1-3-7-19/h1-11,14,16,22H,12-13,15H2,(H,28,30)(H,29,31)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-3				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461252 (CHEMBL4224829) Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1cscn1)NC(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C23H20N4O2S/c24-14-23(10-11-23)27-22(29)20(12-19-13-30-15-25-19)26-21(28)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,13,15,20H,10-12H2,(H,26,28)(H,27,29)/t20-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461257 (CHEMBL4228343) Show SMILES COc1ccc(CC(NC(=O)c2ccc(cc2)-c2ccccc2)C(=O)NC2(CC2)C#N)cn1 Show InChI InChI=1S/C26H24N4O3/c1-33-23-12-7-18(16-28-23)15-22(25(32)30-26(17-27)13-14-26)29-24(31)21-10-8-20(9-11-21)19-5-3-2-4-6-19/h2-12,16,22H,13-15H2,1H3,(H,29,31)(H,30,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	178	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50461261 (CHEMBL4229174) Show SMILES Clc1ccc(CC(NC(=O)c2ccc(cc2)-c2ccccc2)C(=O)NC2(CC2)C#N)cn1 Show InChI InChI=1S/C25H21ClN4O2/c26-22-11-6-17(15-28-22)14-21(24(32)30-25(16-27)12-13-25)29-23(31)20-9-7-19(8-10-20)18-4-2-1-3-5-18/h1-11,15,21H,12-14H2,(H,29,31)(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461250 (CHEMBL4227965) Show SMILES Oc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc(cc3)-c3ccccc3)C(=O)NC3(CC3)C#N)c2c1 |r| Show InChI InChI=1S/C28H24N4O3/c29-17-28(12-13-28)32-27(35)25(14-21-16-30-24-11-10-22(33)15-23(21)24)31-26(34)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-11,15-16,25,30,33H,12-14H2,(H,31,34)(H,32,35)/t25-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	192	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50461257 (CHEMBL4228343) Show SMILES COc1ccc(CC(NC(=O)c2ccc(cc2)-c2ccccc2)C(=O)NC2(CC2)C#N)cn1 Show InChI InChI=1S/C26H24N4O3/c1-33-23-12-7-18(16-28-23)15-22(25(32)30-26(17-27)13-14-26)29-24(31)21-10-8-20(9-11-21)19-5-3-2-4-6-19/h2-12,16,22H,13-15H2,1H3,(H,29,31)(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50175039 (CHEMBL3808639) Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1cc2ccccc2nc1OC |r| Show InChI InChI=1S/C17H13Cl2N3O2S/c1-24-15-6-5-10(8-20-15)21-17(23)14-9-25-16(22-14)7-11-12(18)3-2-4-13(11)19/h2-6,8-9H,7H2,1H3,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce...				ACS Med Chem Lett 7: 454-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00468 BindingDB Entry DOI: 10.7270/Q2S184FM
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50461247 (CHEMBL4228861) Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1cccnc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C25H22N4O2/c26-17-25(12-13-25)29-24(31)22(15-18-5-4-14-27-16-18)28-23(30)21-10-8-20(9-11-21)19-6-2-1-3-7-19/h1-11,14,16,22H,12-13,15H2,(H,28,30)(H,29,31)/t22-/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	202	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50461262 (CHEMBL4226767) Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C26H23N3O2/c27-18-26(15-16-26)29-25(31)23(17-19-7-3-1-4-8-19)28-24(30)22-13-11-21(12-14-22)20-9-5-2-6-10-20/h1-14,23H,15-17H2,(H,28,30)(H,29,31)/t23-/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	213	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461261 (CHEMBL4229174) Show SMILES Clc1ccc(CC(NC(=O)c2ccc(cc2)-c2ccccc2)C(=O)NC2(CC2)C#N)cn1 Show InChI InChI=1S/C25H21ClN4O2/c26-22-11-6-17(15-28-22)14-21(24(32)30-25(16-27)12-13-25)29-23(31)20-9-7-19(8-10-20)18-4-2-1-3-5-18/h1-11,15,21H,12-14H2,(H,29,31)(H,30,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50175038 (CHEMBL3810162) Show SMILES CNC(=O)CCCCC[C@H](NC(=O)C12CCN(CC1)CC2)c1ncc([nH]1)-c1cc2ccccc2nc1OC |r| Show InChI InChI=1S/C18H12Cl2F3N3O/c19-13-2-1-3-14(20)12(13)8-16-24-9-15(26-16)17(27)25-11-6-4-10(5-7-11)18(21,22)23/h1-7,9H,8H2,(H,24,26)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce...				ACS Med Chem Lett 7: 454-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00468 BindingDB Entry DOI: 10.7270/Q2S184FM
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50461250 (CHEMBL4227965) Show SMILES Oc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc(cc3)-c3ccccc3)C(=O)NC3(CC3)C#N)c2c1 |r| Show InChI InChI=1S/C28H24N4O3/c29-17-28(12-13-28)32-27(35)25(14-21-16-30-24-11-10-22(33)15-23(21)24)31-26(34)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-11,15-16,25,30,33H,12-14H2,(H,31,34)(H,32,35)/t25-/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	253	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50461262 (CHEMBL4226767) Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C26H23N3O2/c27-18-26(15-16-26)29-25(31)23(17-19-7-3-1-4-8-19)28-24(30)22-13-11-21(12-14-22)20-9-5-2-6-10-20/h1-14,23H,15-17H2,(H,28,30)(H,29,31)/t23-/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	283	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50175064 (CHEMBL3809530) Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc2cc(ncc2c1)C(F)(F)F |r| Show InChI InChI=1S/C25H25F3N6O2S/c1-29-22(35)6-4-2-3-5-18(34-24(36)20-13-30-14-37-20)23-32-12-19(33-23)16-8-7-15-10-21(25(26,27)28)31-11-17(15)9-16/h7-14,18H,2-6H2,1H3,(H,29,35)(H,32,33)(H,34,36)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce...				ACS Med Chem Lett 7: 454-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00468 BindingDB Entry DOI: 10.7270/Q2S184FM
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50461254 (CHEMBL4225367) Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1ccc(O[C@@H]2CCNC2)cc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C30H30N4O3/c31-20-30(15-16-30)34-29(36)27(18-21-6-12-25(13-7-21)37-26-14-17-32-19-26)33-28(35)24-10-8-23(9-11-24)22-4-2-1-3-5-22/h1-13,26-27,32H,14-19H2,(H,33,35)(H,34,36)/t26-,27+/m1/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	300	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of human cathepsin L				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50175041 (CHEMBL3809034) Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C19H16Cl2N2OS/c1-2-12-6-8-13(9-7-12)22-19(24)17-11-25-18(23-17)10-14-15(20)4-3-5-16(14)21/h3-9,11H,2,10H2,1H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce...				ACS Med Chem Lett 7: 454-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00468 BindingDB Entry DOI: 10.7270/Q2S184FM
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50175035 (CHEMBL3808866) Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc(cc1)-c1ccn[nH]1 |r| Show InChI InChI=1S/C18H10ClF6N3OS/c19-12-3-1-2-11(18(23,24)25)14(12)28-16-27-13(8-30-16)15(29)26-10-6-4-9(5-7-10)17(20,21)22/h1-8H,(H,26,29)(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of human HDAC3				ACS Med Chem Lett 7: 454-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00468 BindingDB Entry DOI: 10.7270/Q2S184FM
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50461251 (CHEMBL4228920) Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1nc2ccccc2s1)NC(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C27H22N4O2S/c28-17-27(14-15-27)31-26(33)22(16-24-29-21-8-4-5-9-23(21)34-24)30-25(32)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-13,22H,14-16H2,(H,30,32)(H,31,33)/t22-/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	334	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of human cathepsin L				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50175037 (CHEMBL3808986) Show SMILES CNC(=O)CCCCC[C@H](NC(=O)C12CCN(CC1)CC2)c1ncc([nH]1)-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C18H11Cl2N3OS/c19-14-2-1-3-15(20)13(14)8-17-23-16(10-25-17)18(24)22-12-6-4-11(9-21)5-7-12/h1-7,10H,8H2,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce...				ACS Med Chem Lett 7: 454-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00468 BindingDB Entry DOI: 10.7270/Q2S184FM
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50461247 (CHEMBL4228861) Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1cccnc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C25H22N4O2/c26-17-25(12-13-25)29-24(31)22(15-18-5-4-14-27-16-18)28-23(30)21-10-8-20(9-11-21)19-6-2-1-3-7-19/h1-11,14,16,22H,12-13,15H2,(H,28,30)(H,29,31)/t22-/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	382	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50175063 (CHEMBL3808977) Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc2cc(OC)ncc2c1 |r| Show InChI InChI=1S/C25H28N6O3S/c1-26-22(32)7-5-3-4-6-19(31-25(33)21-14-27-15-35-21)24-29-13-20(30-24)17-9-8-16-11-23(34-2)28-12-18(16)10-17/h8-15,19H,3-7H2,1-2H3,(H,26,32)(H,29,30)(H,31,33)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce...				ACS Med Chem Lett 7: 454-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00468 BindingDB Entry DOI: 10.7270/Q2S184FM
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50461252 (CHEMBL4224829) Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1cscn1)NC(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C23H20N4O2S/c24-14-23(10-11-23)27-22(29)20(12-19-13-30-15-25-19)26-21(28)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,13,15,20H,10-12H2,(H,26,28)(H,27,29)/t20-/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	435	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair

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