Compile Data Set for Download or QSAR

Found 501 hits with Last Name = 'taylor' and Initial = 'md'   

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 E (Homo sapiens (Human))	BDBM50045284 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES CC[C@H](C)CNC(=O)C(F)(F)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C34H53F2N5O7S/c1-4-12-27(38-32(44)29(22-26-15-10-7-11-16-26)40-49(46,47)41-17-19-48-20-18-41)31(43)39-28(21-25-13-8-6-9-14-25)30(42)34(35,36)33(45)37-23-24(3)5-2/h4,7,10-11,15-16,24-25,27-30,40,42H,1,5-6,8-9,12-14,17-23H2,2-3H3,(H,37,45)(H,38,44)(H,39,43)/t24-,27-,28-,29-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human cathepsin E				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50045281 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C32H52N4O7S/c1-4-11-26(31(39)34-27(20-24-12-7-5-8-13-24)30(38)22-29(37)23(2)3)33-32(40)28(21-25-14-9-6-10-15-25)35-44(41,42)36-16-18-43-19-17-36/h4,6,9-10,14-15,23-24,26-30,35,37-38H,1,5,7-8,11-13,16-22H2,2-3H3,(H,33,40)(H,34,39)/t26-,27-,28-,29-,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human cathepsin D				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50045290 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES CC[C@H](C)CNC(=O)C(F)(F)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C34H51F2N5O7S/c1-4-12-27(38-32(44)29(22-26-15-10-7-11-16-26)40-49(46,47)41-17-19-48-20-18-41)31(43)39-28(21-25-13-8-6-9-14-25)30(42)34(35,36)33(45)37-23-24(3)5-2/h4,7,10-11,15-16,24-25,27-29,40H,1,5-6,8-9,12-14,17-23H2,2-3H3,(H,37,45)(H,38,44)(H,39,43)/t24-,27-,28-,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human cathepsin D				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Cathepsin E (Homo sapiens (Human))	BDBM50008139 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES FC(F)(C(=O)NCCN1CCOCC1)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C35H52F2N6O8S/c1-2-9-28(39-33(46)30(25-27-12-7-4-8-13-27)41-52(48,49)43-18-22-51-23-19-43)32(45)40-29(24-26-10-5-3-6-11-26)31(44)35(36,37)34(47)38-14-15-42-16-20-50-21-17-42/h2,4,7-8,12-13,26,28-30,41H,1,3,5-6,9-11,14-25H2,(H,38,47)(H,39,46)(H,40,45)/t28-,29-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human cathepsin E				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Cathepsin E (Homo sapiens (Human))	BDBM50045290 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES CC[C@H](C)CNC(=O)C(F)(F)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C34H51F2N5O7S/c1-4-12-27(38-32(44)29(22-26-15-10-7-11-16-26)40-49(46,47)41-17-19-48-20-18-41)31(43)39-28(21-25-13-8-6-9-14-25)30(42)34(35,36)33(45)37-23-24(3)5-2/h4,7,10-11,15-16,24-25,27-29,40H,1,5-6,8-9,12-14,17-23H2,2-3H3,(H,37,45)(H,38,44)(H,39,43)/t24-,27-,28-,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human cathepsin E				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50045285 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES O[C@@H](C[C@H](O)C1SCCCS1)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C33H52N4O7S3/c1-2-10-26(34-32(41)28(22-25-13-7-4-8-14-25)36-47(42,43)37-15-17-44-18-16-37)31(40)35-27(21-24-11-5-3-6-12-24)29(38)23-30(39)33-45-19-9-20-46-33/h2,4,7-8,13-14,24,26-30,33,36,38-39H,1,3,5-6,9-12,15-23H2,(H,34,41)(H,35,40)/t26-,27-,28-,29-,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human cathepsin D				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50045291 (CHEMBL88340 | i2-[2-(Morpholine-4-sulfonylamino)-3...) Show SMILES O[C@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(F)(F)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C35H54F2N6O8S/c1-2-9-28(39-33(46)30(25-27-12-7-4-8-13-27)41-52(48,49)43-18-22-51-23-19-43)32(45)40-29(24-26-10-5-3-6-11-26)31(44)35(36,37)34(47)38-14-15-42-16-20-50-21-17-42/h2,4,7-8,12-13,26,28-31,41,44H,1,3,5-6,9-11,14-25H2,(H,38,47)(H,39,46)(H,40,45)/t28-,29-,30-,31+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human cathepsin D				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Gastricsin (Homo sapiens (Human))	BDBM50008139 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES FC(F)(C(=O)NCCN1CCOCC1)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C35H52F2N6O8S/c1-2-9-28(39-33(46)30(25-27-12-7-4-8-13-27)41-52(48,49)43-18-22-51-23-19-43)32(45)40-29(24-26-10-5-3-6-11-26)31(44)35(36,37)34(47)38-14-15-42-16-20-50-21-17-42/h2,4,7-8,12-13,26,28-30,41H,1,3,5-6,9-11,14-25H2,(H,38,47)(H,39,46)(H,40,45)/t28-,29-,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human gastricsin				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50118810 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...) Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in rat brain membranes using [3H]CHA as radioligand				J Med Chem 29: 346-53 (1986) BindingDB Entry DOI: 10.7270/Q28P612K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50367309 (CHEMBL611892) Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1O[C@H](CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H22ClN5O3/c1-11(7-12-5-3-2-4-6-12)24-17-14-18(22-9-21-17)25(10-23-14)19-16(27)15(26)13(8-20)28-19/h2-6,9-11,13,15-16,19,26-27H,7-8H2,1H3,(H,21,22,24)/t11-,13-,15-,16-,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in rat brain membranes using [3H]CHA as radioligand				J Med Chem 29: 346-53 (1986) BindingDB Entry DOI: 10.7270/Q28P612K
					More data for this Ligand-Target Pair
Cathepsin E (Homo sapiens (Human))	BDBM50045281 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C32H52N4O7S/c1-4-11-26(31(39)34-27(20-24-12-7-5-8-13-24)30(38)22-29(37)23(2)3)33-32(40)28(21-25-14-9-6-10-15-25)35-44(41,42)36-16-18-43-19-17-36/h4,6,9-10,14-15,23-24,26-30,35,37-38H,1,5,7-8,11-13,16-22H2,2-3H3,(H,33,40)(H,34,39)/t26-,27-,28-,29-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human cathepsin E				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Cathepsin E (Homo sapiens (Human))	BDBM50045285 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES O[C@@H](C[C@H](O)C1SCCCS1)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C33H52N4O7S3/c1-2-10-26(34-32(41)28(22-25-13-7-4-8-14-25)36-47(42,43)37-15-17-44-18-16-37)31(40)35-27(21-24-11-5-3-6-12-24)29(38)23-30(39)33-45-19-9-20-46-33/h2,4,7-8,13-14,24,26-30,33,36,38-39H,1,3,5-6,9-12,15-23H2,(H,34,41)(H,35,40)/t26-,27-,28-,29-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human cathepsin E				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50045292 ((S)-2-[(S)-2-(Morpholine-4-sulfonylamino)-3-phenyl...) Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C32H52N4O7S/c1-4-11-26(31(39)34-27(21-24-12-7-5-8-13-24)30(38)29(37)20-23(2)3)33-32(40)28(22-25-14-9-6-10-15-25)35-44(41,42)36-16-18-43-19-17-36/h4,6,9-10,14-15,23-24,26-30,35,37-38H,1,5,7-8,11-13,16-22H2,2-3H3,(H,33,40)(H,34,39)/t26-,27-,28-,29-,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human cathepsin D				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Cathepsin E (Homo sapiens (Human))	BDBM50045287 (CHEMBL88526 | N-[Allylsulfanyl-(1-cyclohexylmethyl...) Show SMILES CC[C@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)SCC=C Show InChI InChI=1S/C31H50N4O7S2/c1-3-19-43-31(30(39)32-26(28(37)22-25(36)4-2)20-23-11-7-5-8-12-23)33-29(38)27(21-24-13-9-6-10-14-24)34-44(40,41)35-15-17-42-18-16-35/h3,6,9-10,13-14,23,25-28,31,34,36-37H,1,4-5,7-8,11-12,15-22H2,2H3,(H,32,39)(H,33,38)/t25-,26-,27-,28-,31?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human cathepsin E				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50045284 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES CC[C@H](C)CNC(=O)C(F)(F)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C34H53F2N5O7S/c1-4-12-27(38-32(44)29(22-26-15-10-7-11-16-26)40-49(46,47)41-17-19-48-20-18-41)31(43)39-28(21-25-13-8-6-9-14-25)30(42)34(35,36)33(45)37-23-24(3)5-2/h4,7,10-11,15-16,24-25,27-30,40,42H,1,5-6,8-9,12-14,17-23H2,2-3H3,(H,37,45)(H,38,44)(H,39,43)/t24-,27-,28-,29-,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human cathepsin D				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Cathepsin E (Homo sapiens (Human))	BDBM50045283 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES CC[C@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C31H50N4O7S/c1-3-11-26(30(38)33-27(29(37)22-25(36)4-2)20-23-12-7-5-8-13-23)32-31(39)28(21-24-14-9-6-10-15-24)34-43(40,41)35-16-18-42-19-17-35/h3,6,9-10,14-15,23,25-29,34,36-37H,1,4-5,7-8,11-13,16-22H2,2H3,(H,32,39)(H,33,38)/t25-,26-,27-,28-,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human cathepsin E				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50045282 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES CC[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C31H50N4O7S/c1-3-11-26(30(38)33-27(29(37)22-25(36)4-2)20-23-12-7-5-8-13-23)32-31(39)28(21-24-14-9-6-10-15-24)34-43(40,41)35-16-18-42-19-17-35/h3,6,9-10,14-15,23,25-29,34,36-37H,1,4-5,7-8,11-13,16-22H2,2H3,(H,32,39)(H,33,38)/t25-,26+,27+,28+,29+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human cathepsin D				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50045283 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES CC[C@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C31H50N4O7S/c1-3-11-26(30(38)33-27(29(37)22-25(36)4-2)20-23-12-7-5-8-13-23)32-31(39)28(21-24-14-9-6-10-15-24)34-43(40,41)35-16-18-42-19-17-35/h3,6,9-10,14-15,23,25-29,34,36-37H,1,4-5,7-8,11-13,16-22H2,2H3,(H,32,39)(H,33,38)/t25-,26-,27-,28-,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human cathepsin D				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Gastricsin (Homo sapiens (Human))	BDBM50045292 ((S)-2-[(S)-2-(Morpholine-4-sulfonylamino)-3-phenyl...) Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C32H52N4O7S/c1-4-11-26(31(39)34-27(21-24-12-7-5-8-13-24)30(38)29(37)20-23(2)3)33-32(40)28(22-25-14-9-6-10-15-25)35-44(41,42)36-16-18-43-19-17-36/h4,6,9-10,14-15,23-24,26-30,35,37-38H,1,5,7-8,11-13,16-22H2,2-3H3,(H,33,40)(H,34,39)/t26-,27-,28-,29-,30+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human gastricsin				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Gastricsin (Homo sapiens (Human))	BDBM50045290 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES CC[C@H](C)CNC(=O)C(F)(F)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C34H51F2N5O7S/c1-4-12-27(38-32(44)29(22-26-15-10-7-11-16-26)40-49(46,47)41-17-19-48-20-18-41)31(43)39-28(21-25-13-8-6-9-14-25)30(42)34(35,36)33(45)37-23-24(3)5-2/h4,7,10-11,15-16,24-25,27-29,40H,1,5-6,8-9,12-14,17-23H2,2-3H3,(H,37,45)(H,38,44)(H,39,43)/t24-,27-,28-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human gastricsin				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Pepsin A-5 (Homo sapiens (Human))	BDBM50008139 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES FC(F)(C(=O)NCCN1CCOCC1)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C35H52F2N6O8S/c1-2-9-28(39-33(46)30(25-27-12-7-4-8-13-27)41-52(48,49)43-18-22-51-23-19-43)32(45)40-29(24-26-10-5-3-6-11-26)31(44)35(36,37)34(47)38-14-15-42-16-20-50-21-17-42/h2,4,7-8,12-13,26,28-30,41H,1,3,5-6,9-11,14-25H2,(H,38,47)(H,39,46)(H,40,45)/t28-,29-,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human pepsin				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Cathepsin E (Homo sapiens (Human))	BDBM50045282 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES CC[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C31H50N4O7S/c1-3-11-26(30(38)33-27(29(37)22-25(36)4-2)20-23-12-7-5-8-13-23)32-31(39)28(21-24-14-9-6-10-15-24)34-43(40,41)35-16-18-42-19-17-35/h3,6,9-10,14-15,23,25-29,34,36-37H,1,4-5,7-8,11-13,16-22H2,2H3,(H,32,39)(H,33,38)/t25-,26+,27+,28+,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human cathepsin E				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Pepsin A-5 (Homo sapiens (Human))	BDBM50045292 ((S)-2-[(S)-2-(Morpholine-4-sulfonylamino)-3-phenyl...) Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C32H52N4O7S/c1-4-11-26(31(39)34-27(21-24-12-7-5-8-13-24)30(38)29(37)20-23(2)3)33-32(40)28(22-25-14-9-6-10-15-25)35-44(41,42)36-16-18-43-19-17-36/h4,6,9-10,14-15,23-24,26-30,35,37-38H,1,5,7-8,11-13,16-22H2,2-3H3,(H,33,40)(H,34,39)/t26-,27-,28-,29-,30+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human pepsin				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Gastricsin (Homo sapiens (Human))	BDBM50045284 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES CC[C@H](C)CNC(=O)C(F)(F)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C34H53F2N5O7S/c1-4-12-27(38-32(44)29(22-26-15-10-7-11-16-26)40-49(46,47)41-17-19-48-20-18-41)31(43)39-28(21-25-13-8-6-9-14-25)30(42)34(35,36)33(45)37-23-24(3)5-2/h4,7,10-11,15-16,24-25,27-30,40,42H,1,5-6,8-9,12-14,17-23H2,2-3H3,(H,37,45)(H,38,44)(H,39,43)/t24-,27-,28-,29-,30+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human gastricsin				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50045288 (CHEMBL329220 | N-(1-Cyclohexylmethyl-2,4-dihydroxy...) Show SMILES CC[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(=O)OC)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C31H50N4O9S/c1-3-24(36)20-28(37)25(18-22-10-6-4-7-11-22)32-30(39)26(21-29(38)43-2)33-31(40)27(19-23-12-8-5-9-13-23)34-45(41,42)35-14-16-44-17-15-35/h5,8-9,12-13,22,24-28,34,36-37H,3-4,6-7,10-11,14-21H2,1-2H3,(H,32,39)(H,33,40)/t24-,25+,26+,27+,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human cathepsin D				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50045287 (CHEMBL88526 | N-[Allylsulfanyl-(1-cyclohexylmethyl...) Show SMILES CC[C@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)SCC=C Show InChI InChI=1S/C31H50N4O7S2/c1-3-19-43-31(30(39)32-26(28(37)22-25(36)4-2)20-23-11-7-5-8-12-23)33-29(38)27(21-24-13-9-6-10-14-24)34-44(40,41)35-15-17-42-18-16-35/h3,6,9-10,13-14,23,25-28,31,34,36-37H,1,4-5,7-8,11-12,15-22H2,2H3,(H,32,39)(H,33,38)/t25-,26-,27-,28-,31?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human cathepsin D				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Cathepsin E (Homo sapiens (Human))	BDBM50045289 (6-(3-Methyl-thioureido)-2-[2-(morpholine-4-sulfony...) Show SMILES CC[C@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCCNC(=S)NC)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C34H58N6O7S2/c1-3-27(41)24-31(42)29(22-25-12-6-4-7-13-25)38-32(43)28(16-10-11-17-36-34(48)35-2)37-33(44)30(23-26-14-8-5-9-15-26)39-49(45,46)40-18-20-47-21-19-40/h5,8-9,14-15,25,27-31,39,41-42H,3-4,6-7,10-13,16-24H2,1-2H3,(H,37,44)(H,38,43)(H2,35,36,48)/t27-,28-,29-,30-,31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human cathepsin E				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Pepsin A-5 (Homo sapiens (Human))	BDBM50045285 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES O[C@@H](C[C@H](O)C1SCCCS1)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C33H52N4O7S3/c1-2-10-26(34-32(41)28(22-25-13-7-4-8-14-25)36-47(42,43)37-15-17-44-18-16-37)31(40)35-27(21-24-11-5-3-6-12-24)29(38)23-30(39)33-45-19-9-20-46-33/h2,4,7-8,13-14,24,26-30,33,36,38-39H,1,3,5-6,9-12,15-23H2,(H,34,41)(H,35,40)/t26-,27-,28-,29-,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human pepsin				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Cathepsin E (Homo sapiens (Human))	BDBM50045292 ((S)-2-[(S)-2-(Morpholine-4-sulfonylamino)-3-phenyl...) Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C32H52N4O7S/c1-4-11-26(31(39)34-27(21-24-12-7-5-8-13-24)30(38)29(37)20-23(2)3)33-32(40)28(22-25-14-9-6-10-15-25)35-44(41,42)36-16-18-43-19-17-36/h4,6,9-10,14-15,23-24,26-30,35,37-38H,1,5,7-8,11-13,16-22H2,2-3H3,(H,33,40)(H,34,39)/t26-,27-,28-,29-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human cathepsin E				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50008139 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES FC(F)(C(=O)NCCN1CCOCC1)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C35H52F2N6O8S/c1-2-9-28(39-33(46)30(25-27-12-7-4-8-13-27)41-52(48,49)43-18-22-51-23-19-43)32(45)40-29(24-26-10-5-3-6-11-26)31(44)35(36,37)34(47)38-14-15-42-16-20-50-21-17-42/h2,4,7-8,12-13,26,28-30,41H,1,3,5-6,9-11,14-25H2,(H,38,47)(H,39,46)(H,40,45)/t28-,29-,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human cathepsin D				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Gastricsin (Homo sapiens (Human))	BDBM50045281 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C32H52N4O7S/c1-4-11-26(31(39)34-27(20-24-12-7-5-8-13-24)30(38)22-29(37)23(2)3)33-32(40)28(21-25-14-9-6-10-15-25)35-44(41,42)36-16-18-43-19-17-36/h4,6,9-10,14-15,23-24,26-30,35,37-38H,1,5,7-8,11-13,16-22H2,2-3H3,(H,33,40)(H,34,39)/t26-,27-,28-,29-,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human gastricsin				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Cathepsin E (Homo sapiens (Human))	BDBM50045291 (CHEMBL88340 | i2-[2-(Morpholine-4-sulfonylamino)-3...) Show SMILES O[C@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(F)(F)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C35H54F2N6O8S/c1-2-9-28(39-33(46)30(25-27-12-7-4-8-13-27)41-52(48,49)43-18-22-51-23-19-43)32(45)40-29(24-26-10-5-3-6-11-26)31(44)35(36,37)34(47)38-14-15-42-16-20-50-21-17-42/h2,4,7-8,12-13,26,28-31,41,44H,1,3,5-6,9-11,14-25H2,(H,38,47)(H,39,46)(H,40,45)/t28-,29-,30-,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human cathepsin E				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Pepsin A-5 (Homo sapiens (Human))	BDBM50045290 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES CC[C@H](C)CNC(=O)C(F)(F)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C34H51F2N5O7S/c1-4-12-27(38-32(44)29(22-26-15-10-7-11-16-26)40-49(46,47)41-17-19-48-20-18-41)31(43)39-28(21-25-13-8-6-9-14-25)30(42)34(35,36)33(45)37-23-24(3)5-2/h4,7,10-11,15-16,24-25,27-29,40H,1,5-6,8-9,12-14,17-23H2,2-3H3,(H,37,45)(H,38,44)(H,39,43)/t24-,27-,28-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human pepsin				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50367311 (CHEMBL607763) Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1O[C@H](C)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H23N5O3/c1-11(8-13-6-4-3-5-7-13)23-17-14-18(21-9-20-17)24(10-22-14)19-16(26)15(25)12(2)27-19/h3-7,9-12,15-16,19,25-26H,8H2,1-2H3,(H,20,21,23)/t11-,12-,15-,16-,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in rat brain membranes using [3H]CHA as radioligand				J Med Chem 29: 346-53 (1986) BindingDB Entry DOI: 10.7270/Q28P612K
					More data for this Ligand-Target Pair
Pepsin A-5 (Homo sapiens (Human))	BDBM50045284 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES CC[C@H](C)CNC(=O)C(F)(F)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C34H53F2N5O7S/c1-4-12-27(38-32(44)29(22-26-15-10-7-11-16-26)40-49(46,47)41-17-19-48-20-18-41)31(43)39-28(21-25-13-8-6-9-14-25)30(42)34(35,36)33(45)37-23-24(3)5-2/h4,7,10-11,15-16,24-25,27-30,40,42H,1,5-6,8-9,12-14,17-23H2,2-3H3,(H,37,45)(H,38,44)(H,39,43)/t24-,27-,28-,29-,30+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human pepsin				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50367310 (CHEMBL610691) Show SMILES CSC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N[C@H](C)Cc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C20H25N5O3S/c1-12(8-13-6-4-3-5-7-13)24-18-15-19(22-10-21-18)25(11-23-15)20-17(27)16(26)14(28-20)9-29-2/h3-7,10-12,14,16-17,20,26-27H,8-9H2,1-2H3,(H,21,22,24)/t12-,14-,16-,17-,20?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in rat brain membranes using [3H]CHA as radioligand				J Med Chem 29: 346-53 (1986) BindingDB Entry DOI: 10.7270/Q28P612K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50452270 (CHEMBL2112569) Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O Show InChI InChI=1S/C19H23N5O3/c1-12(7-13-5-3-2-4-6-13)23-17-16-18(21-10-20-17)24(11-22-16)19-15(26)8-14(9-25)27-19/h2-6,10-12,14-15,19,25-26H,7-9H2,1H3,(H,20,21,23)/t12-,14+,15-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in rat brain membranes using [3H]CHA as radioligand				J Med Chem 29: 346-53 (1986) BindingDB Entry DOI: 10.7270/Q28P612K
					More data for this Ligand-Target Pair
Cathepsin E (Homo sapiens (Human))	BDBM50045288 (CHEMBL329220 | N-(1-Cyclohexylmethyl-2,4-dihydroxy...) Show SMILES CC[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(=O)OC)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C31H50N4O9S/c1-3-24(36)20-28(37)25(18-22-10-6-4-7-11-22)32-30(39)26(21-29(38)43-2)33-31(40)27(19-23-12-8-5-9-13-23)34-45(41,42)35-14-16-44-17-15-35/h5,8-9,12-13,22,24-28,34,36-37H,3-4,6-7,10-11,14-21H2,1-2H3,(H,32,39)(H,33,40)/t24-,25+,26+,27+,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human cathepsin E				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50045289 (6-(3-Methyl-thioureido)-2-[2-(morpholine-4-sulfony...) Show SMILES CC[C@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCCNC(=S)NC)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C34H58N6O7S2/c1-3-27(41)24-31(42)29(22-25-12-6-4-7-13-25)38-32(43)28(16-10-11-17-36-34(48)35-2)37-33(44)30(23-26-14-8-5-9-15-26)39-49(45,46)40-18-20-47-21-19-40/h5,8-9,14-15,25,27-31,39,41-42H,3-4,6-7,10-13,16-24H2,1-2H3,(H,37,44)(H,38,43)(H2,35,36,48)/t27-,28-,29-,30-,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human cathepsin D				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Pepsin A-5 (Homo sapiens (Human))	BDBM50045281 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C32H52N4O7S/c1-4-11-26(31(39)34-27(20-24-12-7-5-8-13-24)30(38)22-29(37)23(2)3)33-32(40)28(21-25-14-9-6-10-15-25)35-44(41,42)36-16-18-43-19-17-36/h4,6,9-10,14-15,23-24,26-30,35,37-38H,1,5,7-8,11-13,16-22H2,2-3H3,(H,33,40)(H,34,39)/t26-,27-,28-,29-,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human pepsin				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Pepsin A-5 (Homo sapiens (Human))	BDBM50045283 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES CC[C@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C31H50N4O7S/c1-3-11-26(30(38)33-27(29(37)22-25(36)4-2)20-23-12-7-5-8-13-23)32-31(39)28(21-24-14-9-6-10-15-24)34-43(40,41)35-16-18-42-19-17-35/h3,6,9-10,14-15,23,25-29,34,36-37H,1,4-5,7-8,11-13,16-22H2,2H3,(H,32,39)(H,33,38)/t25-,26-,27-,28-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human pepsin				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Pepsin A-5 (Homo sapiens (Human))	BDBM50045282 (2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...) Show SMILES CC[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C31H50N4O7S/c1-3-11-26(30(38)33-27(29(37)22-25(36)4-2)20-23-12-7-5-8-13-23)32-31(39)28(21-24-14-9-6-10-15-24)34-43(40,41)35-16-18-42-19-17-35/h3,6,9-10,14-15,23,25-29,34,36-37H,1,4-5,7-8,11-13,16-22H2,2H3,(H,32,39)(H,33,38)/t25-,26+,27+,28+,29+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human pepsin				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Gastricsin (Homo sapiens (Human))	BDBM50045289 (6-(3-Methyl-thioureido)-2-[2-(morpholine-4-sulfony...) Show SMILES CC[C@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCCNC(=S)NC)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C34H58N6O7S2/c1-3-27(41)24-31(42)29(22-25-12-6-4-7-13-25)38-32(43)28(16-10-11-17-36-34(48)35-2)37-33(44)30(23-26-14-8-5-9-15-26)39-49(45,46)40-18-20-47-21-19-40/h5,8-9,14-15,25,27-31,39,41-42H,3-4,6-7,10-13,16-24H2,1-2H3,(H,37,44)(H,38,43)(H2,35,36,48)/t27-,28-,29-,30-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human gastricsin				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50118810 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...) Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for adenosine A2 receptor in rat striatal membranes using [3H]NECA as radioligand				J Med Chem 29: 346-53 (1986) BindingDB Entry DOI: 10.7270/Q28P612K
					More data for this Ligand-Target Pair
Pepsin A-5 (Homo sapiens (Human))	BDBM50045288 (CHEMBL329220 | N-(1-Cyclohexylmethyl-2,4-dihydroxy...) Show SMILES CC[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(=O)OC)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C31H50N4O9S/c1-3-24(36)20-28(37)25(18-22-10-6-4-7-11-22)32-30(39)26(21-29(38)43-2)33-31(40)27(19-23-12-8-5-9-13-23)34-45(41,42)35-14-16-44-17-15-35/h5,8-9,12-13,22,24-28,34,36-37H,3-4,6-7,10-11,14-21H2,1-2H3,(H,32,39)(H,33,40)/t24-,25+,26+,27+,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	185	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human pepsin				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50045280 (CHEMBL88654 | N-[2-(5-Amino-thiophen-3-yl)-1-(1-cy...) Show SMILES CC[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)c1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C33H51N5O7S2/c1-2-26(39)21-30(40)27(17-23-9-5-3-6-10-23)35-32(41)28(19-25-20-31(34)46-22-25)36-33(42)29(18-24-11-7-4-8-12-24)37-47(43,44)38-13-15-45-16-14-38/h4,7-8,11-12,20,22-23,26-30,37,39-40H,2-3,5-6,9-10,13-19,21,34H2,1H3,(H,35,41)(H,36,42)/t26-,27+,28+,29+,30+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	208	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human cathepsin D				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Cathepsin E (Homo sapiens (Human))	BDBM50045280 (CHEMBL88654 | N-[2-(5-Amino-thiophen-3-yl)-1-(1-cy...) Show SMILES CC[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)c1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C33H51N5O7S2/c1-2-26(39)21-30(40)27(17-23-9-5-3-6-10-23)35-32(41)28(19-25-20-31(34)46-22-25)36-33(42)29(18-24-11-7-4-8-12-24)37-47(43,44)38-13-15-45-16-14-38/h4,7-8,11-12,20,22-23,26-30,37,39-40H,2-3,5-6,9-10,13-19,21,34H2,1H3,(H,35,41)(H,36,42)/t26-,27+,28+,29+,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human cathepsin E				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Pepsin A-5 (Homo sapiens (Human))	BDBM50045287 (CHEMBL88526 | N-[Allylsulfanyl-(1-cyclohexylmethyl...) Show SMILES CC[C@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)SCC=C Show InChI InChI=1S/C31H50N4O7S2/c1-3-19-43-31(30(39)32-26(28(37)22-25(36)4-2)20-23-11-7-5-8-12-23)33-29(38)27(21-24-13-9-6-10-14-24)34-44(40,41)35-15-17-42-18-16-35/h3,6,9-10,13-14,23,25-28,31,34,36-37H,1,4-5,7-8,11-12,15-22H2,2H3,(H,32,39)(H,33,38)/t25-,26-,27-,28-,31?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	516	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human pepsin				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Cathepsin E (Homo sapiens (Human))	BDBM50045286 (CHEMBL3348525 | N-[1-(1-Cyclohexylmethyl-2,4-dihyd...) Show SMILES CC[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C32H50N6O7S/c1-2-26(39)20-30(40)27(17-23-9-5-3-6-10-23)35-31(41)28(19-25-21-33-22-34-25)36-32(42)29(18-24-11-7-4-8-12-24)37-46(43,44)38-13-15-45-16-14-38/h4,7-8,11-12,21-23,26-30,37,39-40H,2-3,5-6,9-10,13-20H2,1H3,(H,33,34)(H,35,41)(H,36,42)/t26-,27+,28+,29+,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity against human cathepsin E				J Med Chem 36: 2614-20 (1993) BindingDB Entry DOI: 10.7270/Q2X0664J
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021280 ((1-Methyl-2-phenyl-ethyl)-[9-(tetrahydro-pyran-2-y...) Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1CCCCO1 Show InChI InChI=1S/C19H23N5O/c1-14(11-15-7-3-2-4-8-15)23-18-17-19(21-12-20-18)24(13-22-17)16-9-5-6-10-25-16/h2-4,7-8,12-14,16H,5-6,9-11H2,1H3,(H,20,21,23)/t14-,16?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in rat brain membranes using [3H]CHA as radioligand				J Med Chem 29: 346-53 (1986) BindingDB Entry DOI: 10.7270/Q28P612K
					More data for this Ligand-Target Pair

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