Compile Data Set for Download or QSAR

Found 737 hits with Last Name = 'tsaklakidis' and Initial = 'c'   

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 D (Homo sapiens (Human))	BDBM50080960 (2-Bromo-N-[(1S,2S)-3-{[2-(2,4-dichloro-phenyl)-eth...) Show SMILES COc1cc(Br)c(cc1OC)C(=O)N[C@@H](Cc1cccc(Oc2ccccc2)c1)[C@@H](O)CN(CCc1ccc(Cl)cc1Cl)C(=O)CCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C44H40BrCl2N3O8/c1-56-39-24-34(35(45)25-40(39)57-2)42(53)48-37(22-27-9-8-12-31(21-27)58-30-10-4-3-5-11-30)38(51)26-49(19-17-28-15-16-29(46)23-36(28)47)41(52)18-20-50-43(54)32-13-6-7-14-33(32)44(50)55/h3-16,21,23-25,37-38,51H,17-20,22,26H2,1-2H3,(H,48,53)/t37-,38-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of cathepsin D (unknown origin)				Bioorg Med Chem Lett 24: 4141-50 (2014) Article DOI: 10.1016/j.bmcl.2014.07.054 BindingDB Entry DOI: 10.7270/Q2W95BV1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin D (Homo sapiens (Human))	BDBM912 ((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of cathepsin D (unknown origin)				Bioorg Med Chem Lett 24: 4141-50 (2014) Article DOI: 10.1016/j.bmcl.2014.07.054 BindingDB Entry DOI: 10.7270/Q2W95BV1
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM232262 (US9345742, 20) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC |r| Show InChI InChI=1S/C42H64N6O8/c1-11-27(6)36(39(52)48-35(26(4)5)40(53)55-10)46-33(49)24-30(43)31(22-28-18-14-12-15-19-28)44-38(51)34(25(2)3)47-37(50)32(23-29-20-16-13-17-21-29)45-41(54)56-42(7,8)9/h12-21,25-27,30-32,34-36H,11,22-24,43H2,1-10H3,(H,44,51)(H,45,54)(H,46,49)(H,47,50)(H,48,52)/t27-,30-,31-,32-,34-,35-,36-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9345742 (2016) BindingDB Entry DOI: 10.7270/Q25Q4TZD
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM232279 (US9345742, 37) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1cccc(OC(F)(F)F)c1)[C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C37H52F3N5O7/c1-7-22(5)32(43-29(46)19-25-15-12-16-26(17-25)52-37(38,39)40)34(48)42-28(18-24-13-10-9-11-14-24)27(41)20-30(47)44-33(23(6)8-2)35(49)45-31(21(3)4)36(50)51/h9-17,21-23,27-28,31-33H,7-8,18-20,41H2,1-6H3,(H,42,48)(H,43,46)(H,44,47)(H,45,49)(H,50,51)/t22-,23-,27-,28-,31-,32-,33-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9345742 (2016) BindingDB Entry DOI: 10.7270/Q25Q4TZD
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM232284 (US9345742, 42) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)C)C(C)C)C(=O)N[C@H](CO)C(C)C |r| Show InChI InChI=1S/C41H64N6O6/c1-9-28(8)38(41(53)45-34(24-48)26(4)5)46-36(50)23-31(42)32(21-29-16-12-10-13-17-29)44-40(52)37(27(6)7)47-39(51)33(43-35(49)20-25(2)3)22-30-18-14-11-15-19-30/h10-19,25-28,31-34,37-38,48H,9,20-24,42H2,1-8H3,(H,43,49)(H,44,52)(H,45,53)(H,46,50)(H,47,51)/t28-,31-,32-,33-,34+,37-,38-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9345742 (2016) BindingDB Entry DOI: 10.7270/Q25Q4TZD
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM232270 (US9345742, 28) Show SMILES COC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C)C(C)C |r| Show InChI InChI=1S/C46H66N6O7/c1-27(2)22-37(48-39(53)23-28(3)4)43(55)51-41(29(5)6)45(57)50-36(24-31-16-11-10-12-17-31)35(47)26-40(54)49-38(44(56)52-42(30(7)8)46(58)59-9)25-33-20-15-19-32-18-13-14-21-34(32)33/h10-21,27-30,35-38,41-42H,22-26,47H2,1-9H3,(H,48,53)(H,49,54)(H,50,57)(H,51,55)(H,52,56)/t35-,36-,37-,38-,41-,42-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9345742 (2016) BindingDB Entry DOI: 10.7270/Q25Q4TZD
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM232261 (US9345742, 19) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC |r| Show InChI InChI=1S/C42H64N6O7/c1-10-28(8)38(41(53)48-37(27(6)7)42(54)55-9)46-35(50)24-31(43)32(22-29-17-13-11-14-18-29)45-40(52)36(26(4)5)47-39(51)33(44-34(49)21-25(2)3)23-30-19-15-12-16-20-30/h11-20,25-28,31-33,36-38H,10,21-24,43H2,1-9H3,(H,44,49)(H,45,52)(H,46,50)(H,47,51)(H,48,53)/t28-,31-,32-,33-,36-,37-,38-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9345742 (2016) BindingDB Entry DOI: 10.7270/Q25Q4TZD
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM232275 (US9345742, 33) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C41H62N6O7/c1-9-27(8)37(40(52)47-36(26(6)7)41(53)54)45-34(49)23-30(42)31(21-28-16-12-10-13-17-28)44-39(51)35(25(4)5)46-38(50)32(43-33(48)20-24(2)3)22-29-18-14-11-15-19-29/h10-19,24-27,30-32,35-37H,9,20-23,42H2,1-8H3,(H,43,48)(H,44,51)(H,45,49)(H,46,50)(H,47,52)(H,53,54)/t27-,30-,31-,32-,35-,36-,37-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.10	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9345742 (2016) BindingDB Entry DOI: 10.7270/Q25Q4TZD
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM232252 (US9345742, 10) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC |r| Show InChI InChI=1S/C39H66N6O7/c1-12-26(10)35(38(50)45-34(25(8)9)39(51)52-11)43-32(47)21-28(40)29(20-27-16-14-13-15-17-27)42-37(49)33(24(6)7)44-36(48)30(18-22(2)3)41-31(46)19-23(4)5/h13-17,22-26,28-30,33-35H,12,18-21,40H2,1-11H3,(H,41,46)(H,42,49)(H,43,47)(H,44,48)(H,45,50)/t26-,28-,29-,30-,33-,34-,35-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.10	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9345742 (2016) BindingDB Entry DOI: 10.7270/Q25Q4TZD
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50149080 (2-[2-(5-Bromo-thiophen-2-yl)-1H-benzoimidazol-5-yl...) Show SMILES Brc1ccc(s1)-c1nc2ccc(CC(=O)NCC3CCN(CC3)c3ccncc3)cc2[nH]1 Show InChI InChI=1S/C24H24BrN5OS/c25-22-4-3-21(32-22)24-28-19-2-1-17(13-20(19)29-24)14-23(31)27-15-16-7-11-30(12-8-16)18-5-9-26-10-6-18/h1-6,9-10,13,16H,7-8,11-12,14-15H2,(H,27,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Binding affinity of the compoumd to human coagulation factor Xa				Bioorg Med Chem Lett 14: 3763-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.097 BindingDB Entry DOI: 10.7270/Q25H7FQS
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50134404 ((R)-2-[3-(4-Chloro-phenyl)-ureido]-pentanoic acid ...) Show SMILES CCC[C@@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(cc1)N1CCOCC1=O Show InChI InChI=1S/C22H25ClN4O4/c1-2-3-19(26-22(30)25-17-6-4-15(23)5-7-17)21(29)24-16-8-10-18(11-9-16)27-12-13-31-14-20(27)28/h4-11,19H,2-3,12-14H2,1H3,(H,24,29)(H2,25,26,30)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Binding affinity of the compoumd to human coagulation factor Xa				Bioorg Med Chem Lett 14: 3763-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.097 BindingDB Entry DOI: 10.7270/Q25H7FQS
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM232257 (US9345742, 15) Show SMILES COC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C)C(C)C |r| Show InChI InChI=1S/C42H64N6O7/c1-25(2)20-33(44-35(49)21-26(3)4)39(51)47-37(27(5)6)41(53)46-32(22-29-16-12-10-13-17-29)31(43)24-36(50)45-34(23-30-18-14-11-15-19-30)40(52)48-38(28(7)8)42(54)55-9/h10-19,25-28,31-34,37-38H,20-24,43H2,1-9H3,(H,44,49)(H,45,50)(H,46,53)(H,47,51)(H,48,52)/t31-,32-,33-,34-,37-,38-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.70	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9345742 (2016) BindingDB Entry DOI: 10.7270/Q25Q4TZD
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50149093 (3-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...) Show SMILES Fc1cc(ccc1NC(=O)CCc1ccc2nc([nH]c2c1)-c1ccc(Cl)s1)N1CCOCC1=O Show InChI InChI=1S/C24H20ClFN4O3S/c25-21-7-6-20(34-21)24-28-18-4-1-14(11-19(18)29-24)2-8-22(31)27-17-5-3-15(12-16(17)26)30-9-10-33-13-23(30)32/h1,3-7,11-12H,2,8-10,13H2,(H,27,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Binding affinity of the compoumd to human coagulation factor Xa				Bioorg Med Chem Lett 14: 3763-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.097 BindingDB Entry DOI: 10.7270/Q25H7FQS
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM232276 (US9345742, 34) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C)C(=O)N[C@H](CO)C(C)C |r| Show InChI InChI=1S/C38H66N6O6/c1-11-26(10)35(38(50)42-31(21-45)24(6)7)43-33(47)20-28(39)29(19-27-15-13-12-14-16-27)41-37(49)34(25(8)9)44-36(48)30(17-22(2)3)40-32(46)18-23(4)5/h12-16,22-26,28-31,34-35,45H,11,17-21,39H2,1-10H3,(H,40,46)(H,41,49)(H,42,50)(H,43,47)(H,44,48)/t26-,28-,29-,30-,31+,34-,35-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.20	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9345742 (2016) BindingDB Entry DOI: 10.7270/Q25Q4TZD
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50149098 (CHEMBL125552 | N-[3-Chloro-4-(3-oxo-morpholin-4-yl...) Show SMILES Clc1ccc(s1)-c1nc2ccc(CCC(=O)Nc3ccc(N4CCOCC4=O)c(Cl)c3)cc2[nH]1 Show InChI InChI=1S/C24H20Cl2N4O3S/c25-16-12-15(3-5-19(16)30-9-10-33-13-23(30)32)27-22(31)8-2-14-1-4-17-18(11-14)29-24(28-17)20-6-7-21(26)34-20/h1,3-7,11-12H,2,8-10,13H2,(H,27,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Binding affinity of the compoumd to human coagulation factor Xa				Bioorg Med Chem Lett 14: 3763-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.097 BindingDB Entry DOI: 10.7270/Q25H7FQS
					More data for this Ligand-Target Pair
Cathepsin E (Homo sapiens (Human))	BDBM912 ((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	<7.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of cathepsin E (unknown origin)				Bioorg Med Chem Lett 24: 4141-50 (2014) Article DOI: 10.1016/j.bmcl.2014.07.054 BindingDB Entry DOI: 10.7270/Q2W95BV1
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50149088 (3-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...) Show SMILES Fc1cc(NC(=O)CCc2ccc3nc([nH]c3c2)-c2ccc(Cl)s2)ccc1-n1ccccc1=O Show InChI InChI=1S/C25H18ClFN4O2S/c26-22-10-9-21(34-22)25-29-18-7-4-15(13-19(18)30-25)5-11-23(32)28-16-6-8-20(17(27)14-16)31-12-2-1-3-24(31)33/h1-4,6-10,12-14H,5,11H2,(H,28,32)(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Binding affinity of the compoumd to human coagulation factor Xa				Bioorg Med Chem Lett 14: 3763-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.097 BindingDB Entry DOI: 10.7270/Q25H7FQS
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50149087 (3-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...) Show SMILES Cc1cc(NC(=O)CCc2ccc3nc([nH]c3c2)-c2ccc(Cl)s2)ccc1N1CCOCC1=O Show InChI InChI=1S/C25H23ClN4O3S/c1-15-12-17(4-6-20(15)30-10-11-33-14-24(30)32)27-23(31)9-3-16-2-5-18-19(13-16)29-25(28-18)21-7-8-22(26)34-21/h2,4-8,12-13H,3,9-11,14H2,1H3,(H,27,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Binding affinity of the compoumd to human coagulation factor Xa				Bioorg Med Chem Lett 14: 3763-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.097 BindingDB Entry DOI: 10.7270/Q25H7FQS
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50149089 (3-[2-(5-Bromo-thiophen-2-yl)-1H-benzoimidazol-5-yl...) Show SMILES Cc1cc(NC(=O)CCc2ccc3nc([nH]c3c2)-c2ccc(Br)s2)ccc1N1CCOCC1=O Show InChI InChI=1S/C25H23BrN4O3S/c1-15-12-17(4-6-20(15)30-10-11-33-14-24(30)32)27-23(31)9-3-16-2-5-18-19(13-16)29-25(28-18)21-7-8-22(26)34-21/h2,4-8,12-13H,3,9-11,14H2,1H3,(H,27,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Binding affinity of the compoumd to human coagulation factor Xa				Bioorg Med Chem Lett 14: 3763-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.097 BindingDB Entry DOI: 10.7270/Q25H7FQS
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50055925 (CHEMBL3321939 | US9884814, Compound 99) Show SMILES COc1cc(CNC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2cc(OC)c(OC)cc2Br)ccc1F |r| Show InChI InChI=1S/C28H36BrFN4O5/c1-37-23-12-18(9-10-21(23)30)16-32-27(36)22(11-17-7-5-4-6-8-17)33-28(31)34-26(35)14-19-13-24(38-2)25(39-3)15-20(19)29/h9-10,12-13,15,17,22H,4-8,11,14,16H2,1-3H3,(H,32,36)(H3,31,33,34,35)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.60	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9884814 (2018) BindingDB Entry DOI: 10.7270/Q25Q4Z3V
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50055925 (CHEMBL3321939 | US9884814, Compound 99) Show SMILES COc1cc(CNC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2cc(OC)c(OC)cc2Br)ccc1F |r| Show InChI InChI=1S/C28H36BrFN4O5/c1-37-23-12-18(9-10-21(23)30)16-32-27(36)22(11-17-7-5-4-6-8-17)33-28(31)34-26(35)14-19-13-24(38-2)25(39-3)15-20(19)29/h9-10,12-13,15,17,22H,4-8,11,14,16H2,1-3H3,(H,32,36)(H3,31,33,34,35)/t22-/m1/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	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin D using MCA-labeled GKPILFFRLK(Dnp)-D-R-NH2 peptide by fluorescence-based assay				Bioorg Med Chem Lett 24: 4141-50 (2014) Article DOI: 10.1016/j.bmcl.2014.07.054 BindingDB Entry DOI: 10.7270/Q2W95BV1
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM232281 (US9345742, 39) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C)C(=O)NC(CC)CC |r| Show InChI InChI=1S/C38H66N6O5/c1-11-26(10)35(38(49)40-28(12-2)13-3)43-33(46)22-29(39)30(21-27-17-15-14-16-18-27)42-37(48)34(25(8)9)44-36(47)31(19-23(4)5)41-32(45)20-24(6)7/h14-18,23-26,28-31,34-35H,11-13,19-22,39H2,1-10H3,(H,40,49)(H,41,45)(H,42,48)(H,43,46)(H,44,47)/t26-,29-,30-,31-,34-,35-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.90	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9345742 (2016) BindingDB Entry DOI: 10.7270/Q25Q4TZD
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50149100 (3-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...) Show SMILES Clc1ccc(s1)-c1nc2ccc(CCC(=O)Nc3ccc(cc3)N3CCOCC3=O)cc2[nH]1 Show InChI InChI=1S/C24H21ClN4O3S/c25-21-9-8-20(33-21)24-27-18-7-1-15(13-19(18)28-24)2-10-22(30)26-16-3-5-17(6-4-16)29-11-12-32-14-23(29)31/h1,3-9,13H,2,10-12,14H2,(H,26,30)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Binding affinity of the compoumd to human coagulation factor Xa				Bioorg Med Chem Lett 14: 3763-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.097 BindingDB Entry DOI: 10.7270/Q25H7FQS
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM275594 (US9884814, Compound 196) Show SMILES COc1ccc(CC(=O)NC(=N)N[C@H](CC(C)C)C(=O)N[C@H]2CCc3ccccc23)cc1OC |r| Show InChI InChI=1S/C26H34N4O4/c1-16(2)13-21(25(32)28-20-11-10-18-7-5-6-8-19(18)20)29-26(27)30-24(31)15-17-9-12-22(33-3)23(14-17)34-4/h5-9,12,14,16,20-21H,10-11,13,15H2,1-4H3,(H,28,32)(H3,27,29,30,31)/t20-,21+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9884814 (2018) BindingDB Entry DOI: 10.7270/Q25Q4Z3V
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM275605 (US9884814, Compound 208) Show SMILES COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)N[C@H]2CCc3ccccc23)cc1OC |r| Show InChI InChI=1S/C29H38N4O4/c1-36-25-15-12-20(17-26(25)37-2)18-27(34)33-29(30)32-24(16-19-8-4-3-5-9-19)28(35)31-23-14-13-21-10-6-7-11-22(21)23/h6-7,10-12,15,17,19,23-24H,3-5,8-9,13-14,16,18H2,1-2H3,(H,31,35)(H3,30,32,33,34)/t23-,24+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9884814 (2018) BindingDB Entry DOI: 10.7270/Q25Q4Z3V
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM232274 (US9345742, 32) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1cccc(OC(F)(F)F)c1)C(C)C)C(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C36H50F3N5O7/c1-7-22(6)32(34(48)44-31(21(4)5)35(49)50)43-29(46)19-26(40)27(17-23-12-9-8-10-13-23)41-33(47)30(20(2)3)42-28(45)18-24-14-11-15-25(16-24)51-36(37,38)39/h8-16,20-22,26-27,30-32H,7,17-19,40H2,1-6H3,(H,41,47)(H,42,45)(H,43,46)(H,44,48)(H,49,50)/t22-,26-,27-,30-,31-,32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9345742 (2016) BindingDB Entry DOI: 10.7270/Q25Q4TZD
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM275727 (US9884814, Compound 341) Show SMILES COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)N[C@@H](C)c2ccc(F)c(c2)-c2nnn[nH]2)cc1OC |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9884814 (2018) BindingDB Entry DOI: 10.7270/Q25Q4Z3V
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM275668 (US9884814, Compound 281) Show SMILES COc1ccc(CC(=O)NC(=N)NC(CC2CCCCC2)C(=O)NCc2cccc(c2)S(N)(=O)=O)cc1OC Show InChI InChI=1S/C27H37N5O6S/c1-37-23-12-11-19(15-24(23)38-2)16-25(33)32-27(28)31-22(14-18-7-4-3-5-8-18)26(34)30-17-20-9-6-10-21(13-20)39(29,35)36/h6,9-13,15,18,22H,3-5,7-8,14,16-17H2,1-2H3,(H,30,34)(H2,29,35,36)(H3,28,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9884814 (2018) BindingDB Entry DOI: 10.7270/Q25Q4Z3V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50149084 (2-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...) Show SMILES Clc1ccc(s1)-c1nc2ccc(CC(=O)NCC3CCN(CC3)c3ccncc3)cc2[nH]1 Show InChI InChI=1S/C24H24ClN5OS/c25-22-4-3-21(32-22)24-28-19-2-1-17(13-20(19)29-24)14-23(31)27-15-16-7-11-30(12-8-16)18-5-9-26-10-6-18/h1-6,9-10,13,16H,7-8,11-12,14-15H2,(H,27,31)(H,28,29)	PDB MMDB 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	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Binding affinity of the compoumd to human coagulation factor Xa				Bioorg Med Chem Lett 14: 3763-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.097 BindingDB Entry DOI: 10.7270/Q25H7FQS
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM275512 (US9884814, Compound 69) Show SMILES COc1cc(ccc1F)C1(CC1)NC(=O)[C@@H](CC1CCCCC1)NC(=N)NC(=O)Cc1ccc(OC)c(OC)c1 |r| Show InChI InChI=1S/C30H39FN4O5/c1-38-24-12-9-20(16-26(24)40-3)17-27(36)34-29(32)33-23(15-19-7-5-4-6-8-19)28(37)35-30(13-14-30)21-10-11-22(31)25(18-21)39-2/h9-12,16,18-19,23H,4-8,13-15,17H2,1-3H3,(H,35,37)(H3,32,33,34,36)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9884814 (2018) BindingDB Entry DOI: 10.7270/Q25Q4Z3V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50149091 ((S)-2-(3-Carbamimidoyl-phenylamino)-N-[4-(2-oxo-pi...) Show SMILES NC(=N)c1cccc(N[C@H](C(=O)Nc2ccc(cc2)N2CCCCC2=O)c2ccccc2)c1 Show InChI InChI=1S/C26H27N5O2/c27-25(28)19-9-6-10-21(17-19)29-24(18-7-2-1-3-8-18)26(33)30-20-12-14-22(15-13-20)31-16-5-4-11-23(31)32/h1-3,6-10,12-15,17,24,29H,4-5,11,16H2,(H3,27,28)(H,30,33)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Binding affinity of the compoumd to human coagulation factor Xa				Bioorg Med Chem Lett 14: 3763-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.097 BindingDB Entry DOI: 10.7270/Q25H7FQS
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50055907 (CHEMBL3321928 | US9884814, Compound 60) Show SMILES COc1cc(CNC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccc(OC)c(OC)c2)ccc1F |r| Show InChI InChI=1S/C28H37FN4O5/c1-36-23-12-10-19(14-25(23)38-3)16-26(34)33-28(30)32-22(13-18-7-5-4-6-8-18)27(35)31-17-20-9-11-21(29)24(15-20)37-2/h9-12,14-15,18,22H,4-8,13,16-17H2,1-3H3,(H,31,35)(H3,30,32,33,34)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9884814 (2018) BindingDB Entry DOI: 10.7270/Q25Q4Z3V
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM232249 (US9345742, 7) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1cccc(OC(F)(F)F)c1)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC |r| Show InChI InChI=1S/C37H52F3N5O7/c1-8-23(6)33(35(49)45-32(22(4)5)36(50)51-7)44-30(47)20-27(41)28(18-24-13-10-9-11-14-24)42-34(48)31(21(2)3)43-29(46)19-25-15-12-16-26(17-25)52-37(38,39)40/h9-17,21-23,27-28,31-33H,8,18-20,41H2,1-7H3,(H,42,48)(H,43,46)(H,44,47)(H,45,49)/t23-,27-,28-,31-,32-,33-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9345742 (2016) BindingDB Entry DOI: 10.7270/Q25Q4TZD
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM275675 (US9884814, Compound 288) Show SMILES COc1cc(CNC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2cccc(NS(C)(=O)=O)c2)ccc1F |r| Show InChI InChI=1S/C27H36FN5O5S/c1-38-24-15-20(11-12-22(24)28)17-30-26(35)23(14-18-7-4-3-5-8-18)31-27(29)32-25(34)16-19-9-6-10-21(13-19)33-39(2,36)37/h6,9-13,15,18,23,33H,3-5,7-8,14,16-17H2,1-2H3,(H,30,35)(H3,29,31,32,34)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9884814 (2018) BindingDB Entry DOI: 10.7270/Q25Q4Z3V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50149094 (2-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...) Show SMILES Cc1cc(NC(=O)COc2ccc3nc([nH]c3c2)-c2ccc(Cl)s2)ccc1N1CCOCC1=O Show InChI InChI=1S/C24H21ClN4O4S/c1-14-10-15(2-5-19(14)29-8-9-32-13-23(29)31)26-22(30)12-33-16-3-4-17-18(11-16)28-24(27-17)20-6-7-21(25)34-20/h2-7,10-11H,8-9,12-13H2,1H3,(H,26,30)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Binding affinity of the compoumd to human coagulation factor Xa				Bioorg Med Chem Lett 14: 3763-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.097 BindingDB Entry DOI: 10.7270/Q25H7FQS
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM275681 (US9884814, Compound 294) Show SMILES CCOC(=O)c1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)NCc2ccc(F)c(OC)c2)cc1OCC |r| Show InChI InChI=1S/C31H41FN4O6/c1-4-41-26-16-21(11-13-23(26)30(39)42-5-2)18-28(37)36-31(33)35-25(15-20-9-7-6-8-10-20)29(38)34-19-22-12-14-24(32)27(17-22)40-3/h11-14,16-17,20,25H,4-10,15,18-19H2,1-3H3,(H,34,38)(H3,33,35,36,37)/t25-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9884814 (2018) BindingDB Entry DOI: 10.7270/Q25Q4Z3V
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50055892 (CHEMBL3321931 | US9884814, Compound 44) Show SMILES COc1cc(CNC(=O)[C@@H](CC(C)C)NC(=N)NC(=O)Cc2ccc(OC)c(OC)c2)ccc1F |r| Show InChI InChI=1S/C25H33FN4O5/c1-15(2)10-19(24(32)28-14-17-6-8-18(26)21(12-17)34-4)29-25(27)30-23(31)13-16-7-9-20(33-3)22(11-16)35-5/h6-9,11-12,15,19H,10,13-14H2,1-5H3,(H,28,32)(H3,27,29,30,31)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9884814 (2018) BindingDB Entry DOI: 10.7270/Q25Q4Z3V
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50055892 (CHEMBL3321931 | US9884814, Compound 44) Show SMILES COc1cc(CNC(=O)[C@@H](CC(C)C)NC(=N)NC(=O)Cc2ccc(OC)c(OC)c2)ccc1F |r| Show InChI InChI=1S/C25H33FN4O5/c1-15(2)10-19(24(32)28-14-17-6-8-18(26)21(12-17)34-4)29-25(27)30-23(31)13-16-7-9-20(33-3)22(11-16)35-5/h6-9,11-12,15,19H,10,13-14H2,1-5H3,(H,28,32)(H3,27,29,30,31)/t19-/m1/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	24	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin D using MCA-labeled GKPILFFRLK(Dnp)-D-R-NH2 peptide by fluorescence-based assay				Bioorg Med Chem Lett 24: 4141-50 (2014) Article DOI: 10.1016/j.bmcl.2014.07.054 BindingDB Entry DOI: 10.7270/Q2W95BV1
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM275491 (US9884814, Compound 46) Show SMILES CC[C@@H](C)[C@@H](NC(=N)NC(=O)Cc1ccc(OC)c(OC)c1)C(=O)NCc1ccc(F)c(OC)c1 |r| Show InChI InChI=1S/C25H33FN4O5/c1-6-15(2)23(24(32)28-14-17-7-9-18(26)20(12-17)34-4)30-25(27)29-22(31)13-16-8-10-19(33-3)21(11-16)35-5/h7-12,15,23H,6,13-14H2,1-5H3,(H,28,32)(H3,27,29,30,31)/t15-,23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9884814 (2018) BindingDB Entry DOI: 10.7270/Q25Q4Z3V
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM232264 (US9345742, 22) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC |r| Show InChI InChI=1S/C36H51Cl2N5O7/c1-8-22(6)33(35(47)43-32(21(4)5)36(48)49-7)41-29(44)18-26(39)27(16-23-12-10-9-11-13-23)40-34(46)31(20(2)3)42-30(45)19-50-28-15-14-24(37)17-25(28)38/h9-15,17,20-22,26-27,31-33H,8,16,18-19,39H2,1-7H3,(H,40,46)(H,41,44)(H,42,45)(H,43,47)/t22-,26-,27-,31-,32-,33-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9345742 (2016) BindingDB Entry DOI: 10.7270/Q25Q4TZD
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM232278 (US9345742, 36) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1cccc(OC(F)(F)F)c1)C(C)C)C(=O)NCCC(C)C |r| Show InChI InChI=1S/C36H52F3N5O5/c1-7-24(6)33(34(47)41-17-16-22(2)3)44-31(46)21-28(40)29(19-25-12-9-8-10-13-25)42-35(48)32(23(4)5)43-30(45)20-26-14-11-15-27(18-26)49-36(37,38)39/h8-15,18,22-24,28-29,32-33H,7,16-17,19-21,40H2,1-6H3,(H,41,47)(H,42,48)(H,43,45)(H,44,46)/t24-,28-,29-,32-,33-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9345742 (2016) BindingDB Entry DOI: 10.7270/Q25Q4TZD
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM275488 (US9884814, Compound 43) Show SMILES CC[C@H](C)CNC(=O)[C@@H](CC1CCCCC1)NC(=N)NC(=O)Cc1ccc(OC)c(OC)c1 |r| Show InChI InChI=1S/C25H40N4O4/c1-5-17(2)16-27-24(31)20(13-18-9-7-6-8-10-18)28-25(26)29-23(30)15-19-11-12-21(32-3)22(14-19)33-4/h11-12,14,17-18,20H,5-10,13,15-16H2,1-4H3,(H,27,31)(H3,26,28,29,30)/t17-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9884814 (2018) BindingDB Entry DOI: 10.7270/Q25Q4Z3V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50149090 (2-[3-(4-Chloro-phenyl)-ureido]-N-[4-(3-oxo-morphol...) Show SMILES Clc1ccc(NC(=O)NCC(=O)Nc2ccc(cc2)N2CCOCC2=O)cc1 Show InChI InChI=1S/C19H19ClN4O4/c20-13-1-3-15(4-2-13)23-19(27)21-11-17(25)22-14-5-7-16(8-6-14)24-9-10-28-12-18(24)26/h1-8H,9-12H2,(H,22,25)(H2,21,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Binding affinity of the compoumd to human coagulation factor Xa				Bioorg Med Chem Lett 14: 3763-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.097 BindingDB Entry DOI: 10.7270/Q25H7FQS
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM275671 (US9884814, Compound 284) Show SMILES COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)NCc2ccc(F)c(OC)c2)c(F)c1 |r| Show InChI InChI=1S/C27H34F2N4O4/c1-36-20-10-9-19(22(29)15-20)14-25(34)33-27(30)32-23(12-17-6-4-3-5-7-17)26(35)31-16-18-8-11-21(28)24(13-18)37-2/h8-11,13,15,17,23H,3-7,12,14,16H2,1-2H3,(H,31,35)(H3,30,32,33,34)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9884814 (2018) BindingDB Entry DOI: 10.7270/Q25Q4Z3V
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM232258 (US9345742, 16) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC |r| Show InChI InChI=1S/C39H66N6O8/c1-13-25(8)33(36(49)45-32(24(6)7)37(50)52-12)43-30(46)21-27(40)28(20-26-17-15-14-16-18-26)41-35(48)31(23(4)5)44-34(47)29(19-22(2)3)42-38(51)53-39(9,10)11/h14-18,22-25,27-29,31-33H,13,19-21,40H2,1-12H3,(H,41,48)(H,42,51)(H,43,46)(H,44,47)(H,45,49)/t25-,27-,28-,29-,31-,32-,33-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9345742 (2016) BindingDB Entry DOI: 10.7270/Q25Q4TZD
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM232286 (US9345742, 44) Show SMILES CC(C)C[C@H](NC(=O)CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)CC(=O)N[C@H](COc1ccc(F)cc1F)C(C)C |r| Show InChI InChI=1S/C38H57F2N5O5/c1-22(2)16-31(42-34(46)17-23(3)4)37(48)45-36(25(7)8)38(49)44-30(18-26-12-10-9-11-13-26)29(41)20-35(47)43-32(24(5)6)21-50-33-15-14-27(39)19-28(33)40/h9-15,19,22-25,29-32,36H,16-18,20-21,41H2,1-8H3,(H,42,46)(H,43,47)(H,44,49)(H,45,48)/t29-,30-,31-,32+,36-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	39	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9345742 (2016) BindingDB Entry DOI: 10.7270/Q25Q4TZD
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM232243 (US9345742, 1) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC |r| Show InChI InChI=1S/C38H64N6O8/c1-12-24(7)32(35(48)44-31(23(5)6)36(49)51-11)43-30(45)21-26(39)28(20-25-17-15-14-16-18-25)41-33(46)27(13-2)40-34(47)29(19-22(3)4)42-37(50)52-38(8,9)10/h14-18,22-24,26-29,31-32H,12-13,19-21,39H2,1-11H3,(H,40,47)(H,41,46)(H,42,50)(H,43,45)(H,44,48)/t24-,26-,27-,28-,29-,31-,32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9345742 (2016) BindingDB Entry DOI: 10.7270/Q25Q4TZD
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM275705 (US9884814, Compound 319) Show SMILES COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)NCc2cccc(c2)-c2ccn(C)n2)cc1OC |r| Show InChI InChI=1S/C31H40N6O4/c1-37-15-14-25(36-37)24-11-7-10-23(16-24)20-33-30(39)26(17-21-8-5-4-6-9-21)34-31(32)35-29(38)19-22-12-13-27(40-2)28(18-22)41-3/h7,10-16,18,21,26H,4-6,8-9,17,19-20H2,1-3H3,(H,33,39)(H3,32,34,35,38)/t26-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	41	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9884814 (2018) BindingDB Entry DOI: 10.7270/Q25Q4Z3V
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM275619 (US9884814, Compound 222) Show SMILES COc1cc(F)c(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)NCc2ccc(F)c(OC)c2)c(F)c1 |r| Show InChI InChI=1S/C27H33F3N4O4/c1-37-18-12-21(29)19(22(30)13-18)14-25(35)34-27(31)33-23(10-16-6-4-3-5-7-16)26(36)32-15-17-8-9-20(28)24(11-17)38-2/h8-9,11-13,16,23H,3-7,10,14-15H2,1-2H3,(H,32,36)(H3,31,33,34,35)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	41	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9884814 (2018) BindingDB Entry DOI: 10.7270/Q25Q4Z3V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50149076 (2-[2-(5-Bromo-thiophen-2-yl)-1H-benzoimidazol-5-yl...) Show SMILES Cc1cc(NC(=O)Cc2ccc3nc([nH]c3c2)-c2ccc(Br)s2)ccc1N1CCOCC1=O Show InChI InChI=1S/C24H21BrN4O3S/c1-14-10-16(3-5-19(14)29-8-9-32-13-23(29)31)26-22(30)12-15-2-4-17-18(11-15)28-24(27-17)20-6-7-21(25)33-20/h2-7,10-11H,8-9,12-13H2,1H3,(H,26,30)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Binding affinity of the compoumd to human coagulation factor Xa				Bioorg Med Chem Lett 14: 3763-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.097 BindingDB Entry DOI: 10.7270/Q25H7FQS
					More data for this Ligand-Target Pair

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