BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 501 hits with Last Name = 'taylor' and Initial = 'md'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cathepsin E


(Homo sapiens (Human))
BDBM50045284
PNG
(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

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.100n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin E


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50045281
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.100n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin D


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50045290
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.400n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin D


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50008139
PNG
(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

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin E


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50045290
PNG
(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

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin E


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50045285
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.600n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin D


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50045291
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin D


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Pepsinogen C


(Homo sapiens (Human))
BDBM50008139
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.900n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human gastricsin


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50118810
PNG
((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
Show InChI InChI=1/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-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.10n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm00153a008
BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367309
PNG
(CHEMBL611892)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1O[C@H](CCl)[C@@H](O)[C@H]1O
Show InChI InChI=1/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?/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.60n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm00153a008
BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50045281
PNG
(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

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin E


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50045285
PNG
(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

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.20n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin E


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50045292
PNG
((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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.5n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin D


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50045287
PNG
(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

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.90n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin E


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50045284
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.20n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin D


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50045283
PNG
(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

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.30n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin E


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50045282
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.40n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin D


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50045283
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.10n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin D


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Pepsinogen C


(Homo sapiens (Human))
BDBM50045292
PNG
((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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human gastricsin


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Pepsinogen C


(Homo sapiens (Human))
BDBM50045290
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human gastricsin


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Pepsinogen A5


(Homo sapiens (Human))
BDBM50008139
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
11n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human pepsin


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50045282
PNG
(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

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
11n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin E


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Pepsinogen A5


(Homo sapiens (Human))
BDBM50045292
PNG
((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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human pepsin


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Pepsinogen C


(Homo sapiens (Human))
BDBM50045284
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human gastricsin


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50045288
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin D


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50045287
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
15n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin D


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50045289
PNG
(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

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
15n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin E


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Pepsinogen A5


(Homo sapiens (Human))
BDBM50045285
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
16n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human pepsin


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50045292
PNG
((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

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
17n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin E


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50008139
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
18n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin D


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Pepsinogen C


(Homo sapiens (Human))
BDBM50045281
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
19n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human gastricsin


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50045291
PNG
(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

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
21n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin E


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Pepsinogen A5


(Homo sapiens (Human))
BDBM50045290
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
24n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human pepsin


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367311
PNG
(CHEMBL607763)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1O[C@H](C)[C@@H](O)[C@H]1O
Show InChI InChI=1/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?/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
25n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm00153a008
BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Pepsinogen A5


(Homo sapiens (Human))
BDBM50045284
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
27n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human pepsin


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367310
PNG
(CHEMBL610691)
Show SMILES CSC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N[C@H](C)Cc3ccccc3)ncnc12
Show InChI InChI=1/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?/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
29n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm00153a008
BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50452270
PNG
(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
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
29n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm00153a008
BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50045288
PNG
(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

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
44n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin E


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50045289
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
45n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin D


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Pepsinogen A5


(Homo sapiens (Human))
BDBM50045281
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
57n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human pepsin


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Pepsinogen A5


(Homo sapiens (Human))
BDBM50045283
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
69n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human pepsin


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Pepsinogen A5


(Homo sapiens (Human))
BDBM50045282
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
77n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human pepsin


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Pepsinogen C


(Homo sapiens (Human))
BDBM50045289
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
110n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human gastricsin


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50118810
PNG
((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
Show InChI InChI=1/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-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
120n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm00153a008
BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Pepsinogen A5


(Homo sapiens (Human))
BDBM50045288
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
185n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human pepsin


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50045280
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
208n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin D


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50045280
PNG
(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

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
300n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin E


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Pepsinogen A5


(Homo sapiens (Human))
BDBM50045287
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
516n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human pepsin


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50045286
PNG
(CHEMBL314858 | CHEMBL3348525 | N-[1-(1-Cyclohexylm...)
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

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
850n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin E


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021280
PNG
((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
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm00153a008
BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 501 total )  |  Next  |  Last  >>
Jump to: