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PubMed code 1732531

Compile data set for download or QSAR
Found 88 hits of Enzyme Inhibition Constant Data   
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
Renin


(Homo sapiens (human))
BDBM50008145
PNG
(CHEMBL286147 | Morpholine-4-carboxylic acid (1-{1-...)
Show SMILES FC(F)(C(=O)NCCN1CCOCC1)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1
Show InChI InChI=1S/C36H52F2N6O7/c1-2-9-28(40-33(47)30(25-27-12-7-4-8-13-27)42-35(49)44-18-22-51-23-19-44)32(46)41-29(24-26-10-5-3-6-11-26)31(45)36(37,38)34(48)39-14-15-43-16-20-50-21-17-43/h2,4,7-8,12-13,26,28-30H,1,3,5-6,9-11,14-25H2,(H,39,48)(H,40,47)(H,41,46)(H,42,49)/t28-,29-,30-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008141
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES OC([C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(F)(F)C(=O)NCCc1ccccn1
Show InChI InChI=1S/C36H50F2N6O7S/c1-2-11-29(41-34(47)31(25-27-14-7-4-8-15-27)43-52(49,50)44-20-22-51-23-21-44)33(46)42-30(24-26-12-5-3-6-13-26)32(45)36(37,38)35(48)40-19-17-28-16-9-10-18-39-28/h2,4,7-10,14-16,18,26,29-32,43,45H,1,3,5-6,11-13,17,19-25H2,(H,40,48)(H,41,47)(H,42,46)/t29-,30-,31-,32?/m0/s1
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n/an/a 0.210n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008130
PNG
(2-[3-Phenyl-2-(3-pyridin-3-yl-propionylamino)-prop...)
Show SMILES OC([C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1cccnc1)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C39H54F2N6O6/c1-2-10-31(45-37(51)33(26-29-13-7-4-8-14-29)44-34(48)17-16-30-15-9-18-42-27-30)36(50)46-32(25-28-11-5-3-6-12-28)35(49)39(40,41)38(52)43-19-20-47-21-23-53-24-22-47/h2,4,7-9,13-15,18,27-28,31-33,35,49H,1,3,5-6,10-12,16-17,19-26H2,(H,43,52)(H,44,48)(H,45,51)(H,46,50)/t31-,32-,33-,35?/m0/s1
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n/an/a 0.220n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008151
PNG
(2-[3-Phenyl-2-(3-pyridin-3-yl-propionylamino)-prop...)
Show SMILES FC(F)(C(=O)NCCN1CCOCC1)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1cccnc1
Show InChI InChI=1S/C39H52F2N6O6/c1-2-10-31(45-37(51)33(26-29-13-7-4-8-14-29)44-34(48)17-16-30-15-9-18-42-27-30)36(50)46-32(25-28-11-5-3-6-12-28)35(49)39(40,41)38(52)43-19-20-47-21-23-53-24-22-47/h2,4,7-9,13-15,18,27-28,31-33H,1,3,5-6,10-12,16-17,19-26H2,(H,43,52)(H,44,48)(H,45,51)(H,46,50)/t31-,32-,33-/m0/s1
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n/an/a 0.230n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008129
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES FC(F)(C(=O)NCCc1ccccn1)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C36H48F2N6O7S/c1-2-11-29(41-34(47)31(25-27-14-7-4-8-15-27)43-52(49,50)44-20-22-51-23-21-44)33(46)42-30(24-26-12-5-3-6-13-26)32(45)36(37,38)35(48)40-19-17-28-16-9-10-18-39-28/h2,4,7-10,14-16,18,26,29-31,43H,1,3,5-6,11-13,17,19-25H2,(H,40,48)(H,41,47)(H,42,46)/t29-,30-,31-/m0/s1
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n/an/a 0.230n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008138
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C36H58F2N6O8S/c1-2-3-14-29(40-34(47)31(26-28-12-8-5-9-13-28)42-53(49,50)44-19-23-52-24-20-44)33(46)41-30(25-27-10-6-4-7-11-27)32(45)36(37,38)35(48)39-15-16-43-17-21-51-22-18-43/h5,8-9,12-13,27,29-32,42,45H,2-4,6-7,10-11,14-26H2,1H3,(H,39,48)(H,40,47)(H,41,46)/t29-,30-,31-,32?/m0/s1
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n/an/a 0.240n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008132
PNG
(5-Cyclohexyl-2,2-difluoro-4-{2-[2-(morpholine-4-su...)
Show SMILES FC(F)(C(=O)NCCN1CCOCC1)C(=O)[C@H](CC1CCCCC1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C32H48F2N6O8S/c33-32(34,31(44)35-11-12-39-13-17-47-18-14-39)29(42)26(21-24-7-3-1-4-8-24)37-28(41)23-36-30(43)27(22-25-9-5-2-6-10-25)38-49(45,46)40-15-19-48-20-16-40/h2,5-6,9-10,24,26-27,38H,1,3-4,7-8,11-23H2,(H,35,44)(H,36,43)(H,37,41)/t26-,27-/m0/s1
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n/an/a 0.25n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008153
PNG
(CHEMBL32575 | Morpholine-4-carboxylic acid (1-{1-[...)
Show SMILES OC([C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C36H54F2N6O7/c1-2-9-28(40-33(47)30(25-27-12-7-4-8-13-27)42-35(49)44-18-22-51-23-19-44)32(46)41-29(24-26-10-5-3-6-11-26)31(45)36(37,38)34(48)39-14-15-43-16-20-50-21-17-43/h2,4,7-8,12-13,26,28-31,45H,1,3,5-6,9-11,14-25H2,(H,39,48)(H,40,47)(H,41,46)(H,42,49)/t28-,29-,30-,31?/m0/s1
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n/an/a 0.280n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008147
PNG
(2-[3-(4-Methoxy-phenyl)-2-(morpholine-4-sulfonylam...)
Show SMILES COc1ccc(C[C@H](NS(=O)(=O)N2CCOCC2)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CC2CCCCC2)C(=O)C(F)(F)C(=O)NCCN2CCOCC2)cc1
Show InChI InChI=1S/C36H54F2N6O9S/c1-3-7-29(40-34(47)31(25-27-10-12-28(51-2)13-11-27)42-54(49,50)44-18-22-53-23-19-44)33(46)41-30(24-26-8-5-4-6-9-26)32(45)36(37,38)35(48)39-14-15-43-16-20-52-21-17-43/h3,10-13,26,29-31,42H,1,4-9,14-25H2,2H3,(H,39,48)(H,40,47)(H,41,46)/t29-,30-,31-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008121
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES FC(F)(C(=O)NCCN1CCOCC1)C(=O)[C@@H](NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C1CCCCC1
Show InChI InChI=1S/C34H50F2N6O8S/c1-2-9-27(38-32(45)28(24-25-10-5-3-6-11-25)40-51(47,48)42-18-22-50-23-19-42)31(44)39-29(26-12-7-4-8-13-26)30(43)34(35,36)33(46)37-14-15-41-16-20-49-21-17-41/h2-3,5-6,10-11,26-29,40H,1,4,7-9,12-24H2,(H,37,46)(H,38,45)(H,39,44)/t27-,28-,29-/m0/s1
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n/an/a 0.310n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008158
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES CCS[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/C34H53F2N5O7S2/c1-4-12-27(38-32(44)29(22-26-15-10-7-11-16-26)40-50(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)49-5-2/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?/m1/s1
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n/an/a 0.320n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008133
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C36H56F2N6O8S/c1-2-3-14-29(40-34(47)31(26-28-12-8-5-9-13-28)42-53(49,50)44-19-23-52-24-20-44)33(46)41-30(25-27-10-6-4-7-11-27)32(45)36(37,38)35(48)39-15-16-43-17-21-51-22-18-43/h5,8-9,12-13,27,29-31,42H,2-4,6-7,10-11,14-26H2,1H3,(H,39,48)(H,40,47)(H,41,46)/t29-,30-,31-/m0/s1
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n/an/a 0.350n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008127
PNG
(2-[3-Phenyl-2-(piperazine-1-sulfonylamino)-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)N1CCNCC1
Show InChI InChI=1S/C34H52F2N6O6S/c1-4-12-27(39-32(45)29(22-26-15-10-7-11-16-26)41-49(47,48)42-19-17-37-18-20-42)31(44)40-28(21-25-13-8-6-9-14-25)30(43)34(35,36)33(46)38-23-24(3)5-2/h4,7,10-11,15-16,24-25,27-29,37,41H,1,5-6,8-9,12-14,17-23H2,2-3H3,(H,38,46)(H,39,45)(H,40,44)/t24-,27-,28-,29-/m0/s1
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n/an/a 0.350n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008136
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/C35H46F2N6O8S/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/h2-8,10-13,28-30,41H,1,9,14-25H2,(H,38,47)(H,39,46)(H,40,45)/t28-,29-,30-/m0/s1
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n/an/a 0.360n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008122
PNG
(5-Cyclohexyl-2,2-difluoro-4-{2-[2-(morpholine-4-su...)
Show SMILES CCOC(=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/C31H44F2N4O8S/c1-3-11-24(28(39)35-25(20-22-12-7-5-8-13-22)27(38)31(32,33)30(41)45-4-2)34-29(40)26(21-23-14-9-6-10-15-23)36-46(42,43)37-16-18-44-19-17-37/h3,6,9-10,14-15,22,24-26,36H,1,4-5,7-8,11-13,16-21H2,2H3,(H,34,40)(H,35,39)/t24-,25-,26-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008137
PNG
(2-[2-(4-Methyl-piperazine-1-sulfonylamino)-3-pheny...)
Show SMILES CN1CCN(CC1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C36H57F2N7O7S/c1-3-10-29(40-34(48)31(26-28-13-8-5-9-14-28)42-53(50,51)45-19-17-43(2)18-20-45)33(47)41-30(25-27-11-6-4-7-12-27)32(46)36(37,38)35(49)39-15-16-44-21-23-52-24-22-44/h3,5,8-9,13-14,27,29-32,42,46H,1,4,6-7,10-12,15-26H2,2H3,(H,39,49)(H,40,48)(H,41,47)/t29-,30-,31-,32?/m0/s1
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n/an/a 0.420n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008148
PNG
(5-Cyclohexyl-2,2-difluoro-3-hydroxy-4-{2-[2-(morph...)
Show SMILES CCCO[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C35H56F2N6O9S/c1-2-19-52-33(40-31(45)29(25-27-11-7-4-8-12-27)41-53(48,49)43-17-22-51-23-18-43)32(46)39-28(24-26-9-5-3-6-10-26)30(44)35(36,37)34(47)38-13-14-42-15-20-50-21-16-42/h4,7-8,11-12,26,28-30,33,41,44H,2-3,5-6,9-10,13-25H2,1H3,(H,38,47)(H,39,46)(H,40,45)/t28-,29-,30?,33-/m0/s1
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n/an/a 0.440n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008142
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES OC([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/C35H48F2N6O8S/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/h2-8,10-13,28-31,41,44H,1,9,14-25H2,(H,38,47)(H,39,46)(H,40,45)/t28-,29-,30-,31?/m0/s1
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n/an/a 0.460n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50006856
PNG
(4-{3-(2-Amino-thiazol-4-yl)-2-[2-(morpholine-4-sul...)
Show SMILES Nc1nc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N2CCOCC2)C(=O)N[C@@H](CC2CCCCC2)C(=O)C(F)(F)C(=O)NCCN2CCOCC2)cs1
Show InChI InChI=1S/C36H52F2N8O8S2/c37-36(38,34(50)40-11-12-45-13-17-53-18-14-45)31(47)28(21-25-7-3-1-4-8-25)42-32(48)29(23-27-24-55-35(39)41-27)43-33(49)30(22-26-9-5-2-6-10-26)44-56(51,52)46-15-19-54-20-16-46/h2,5-6,9-10,24-25,28-30,44H,1,3-4,7-8,11-23H2,(H2,39,41)(H,40,50)(H,42,48)(H,43,49)/t28-,29-,30-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008154
PNG
(2-[3-Phenyl-2-(piperazine-1-sulfonylamino)-propion...)
Show SMILES OC([C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCNCC1)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C35H55F2N7O7S/c1-2-9-28(40-33(47)30(25-27-12-7-4-8-13-27)42-52(49,50)44-18-14-38-15-19-44)32(46)41-29(24-26-10-5-3-6-11-26)31(45)35(36,37)34(48)39-16-17-43-20-22-51-23-21-43/h2,4,7-8,12-13,26,28-31,38,42,45H,1,3,5-6,9-11,14-25H2,(H,39,48)(H,40,47)(H,41,46)/t28-,29-,30-,31?/m0/s1
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n/an/a 0.570n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008125
PNG
(CHEMBL285207 | N-[1-Cyclohexylmethyl-3,3-difluoro-...)
Show SMILES COC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C34H52F2N6O10S/c1-50-32(46)28(39-30(44)27(23-25-10-6-3-7-11-25)40-53(48,49)42-16-20-52-21-17-42)31(45)38-26(22-24-8-4-2-5-9-24)29(43)34(35,36)33(47)37-12-13-41-14-18-51-19-15-41/h3,6-7,10-11,24,26-29,40,43H,2,4-5,8-9,12-23H2,1H3,(H,37,47)(H,38,45)(H,39,44)/t26-,27-,28+,29?/m0/s1
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n/an/a 0.620n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008144
PNG
(4-{3-(2-Amino-thiazol-4-yl)-2-[2-(morpholine-4-sul...)
Show SMILES Nc1nc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N2CCOCC2)C(=O)N[C@@H](CC2CCCCC2)C(O)C(F)(F)C(=O)NCCN2CCOCC2)cs1
Show InChI InChI=1S/C36H54F2N8O8S2/c37-36(38,34(50)40-11-12-45-13-17-53-18-14-45)31(47)28(21-25-7-3-1-4-8-25)42-32(48)29(23-27-24-55-35(39)41-27)43-33(49)30(22-26-9-5-2-6-10-26)44-56(51,52)46-15-19-54-20-16-46/h2,5-6,9-10,24-25,28-31,44,47H,1,3-4,7-8,11-23H2,(H2,39,41)(H,40,50)(H,42,48)(H,43,49)/t28-,29-,30-,31?/m0/s1
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n/an/a 0.690n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008156
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES OC([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
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n/an/a 0.700n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008162
PNG
(CHEMBL31621 | N-[1-Cyclohexylmethyl-3,3-difluoro-3...)
Show SMILES COC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C34H50F2N6O10S/c1-50-32(46)28(39-30(44)27(23-25-10-6-3-7-11-25)40-53(48,49)42-16-20-52-21-17-42)31(45)38-26(22-24-8-4-2-5-9-24)29(43)34(35,36)33(47)37-12-13-41-14-18-51-19-15-41/h3,6-7,10-11,24,26-28,40H,2,4-5,8-9,12-23H2,1H3,(H,37,47)(H,38,45)(H,39,44)/t26-,27-,28+/m0/s1
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n/an/a 0.790n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008149
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES CCS[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/C34H51F2N5O7S2/c1-4-12-27(38-32(44)29(22-26-15-10-7-11-16-26)40-50(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)49-5-2/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+/m1/s1
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n/an/a 0.810n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50368310
PNG
(CHEMBL1790136)
Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C34H54F2N6O9S/c1-24(43)29(39-31(45)28(23-26-10-6-3-7-11-26)40-52(48,49)42-16-20-51-21-17-42)32(46)38-27(22-25-8-4-2-5-9-25)30(44)34(35,36)33(47)37-12-13-41-14-18-50-19-15-41/h3,6-7,10-11,24-25,27-30,40,43-44H,2,4-5,8-9,12-23H2,1H3,(H,37,47)(H,38,46)(H,39,45)/t24-,27-,28-,29-,30?/m0/s1
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n/an/a 0.820n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008124
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES OC([C@@H](NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C1CCCCC1)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C34H52F2N6O8S/c1-2-9-27(38-32(45)28(24-25-10-5-3-6-11-25)40-51(47,48)42-18-22-50-23-19-42)31(44)39-29(26-12-7-4-8-13-26)30(43)34(35,36)33(46)37-14-15-41-16-20-49-21-17-41/h2-3,5-6,10-11,26-30,40,43H,1,4,7-9,12-24H2,(H,37,46)(H,38,45)(H,39,44)/t27-,28-,29-,30?/m0/s1
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n/an/a 0.870n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008123
PNG
(5-Cyclohexyl-2,2-difluoro-4-{3-(1H-imidazol-4-yl)-...)
Show SMILES FC(F)(C(=O)NCCN1CCOCC1)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C36H52F2N8O8S/c37-36(38,35(50)40-11-12-45-13-17-53-18-14-45)32(47)29(21-26-7-3-1-4-8-26)42-33(48)30(23-28-24-39-25-41-28)43-34(49)31(22-27-9-5-2-6-10-27)44-55(51,52)46-15-19-54-20-16-46/h2,5-6,9-10,24-26,29-31,44H,1,3-4,7-8,11-23H2,(H,39,41)(H,40,50)(H,42,48)(H,43,49)/t29-,30-,31-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008131
PNG
(2-[2-(4-Methyl-piperazine-1-sulfonylamino)-3-pheny...)
Show SMILES CN1CCN(CC1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C36H55F2N7O7S/c1-3-10-29(40-34(48)31(26-28-13-8-5-9-14-28)42-53(50,51)45-19-17-43(2)18-20-45)33(47)41-30(25-27-11-6-4-7-12-27)32(46)36(37,38)35(49)39-15-16-44-21-23-52-24-22-44/h3,5,8-9,13-14,27,29-31,42H,1,4,6-7,10-12,15-26H2,2H3,(H,39,49)(H,40,48)(H,41,47)/t29-,30-,31-/m0/s1
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n/an/a 0.920n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008140
PNG
(5-Cyclohexyl-2,2-difluoro-4-{2-[2-(morpholine-4-su...)
Show SMILES CC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C34H50F2N6O9S/c1-24(43)29(39-31(45)28(23-26-10-6-3-7-11-26)40-52(48,49)42-16-20-51-21-17-42)32(46)38-27(22-25-8-4-2-5-9-25)30(44)34(35,36)33(47)37-12-13-41-14-18-50-19-15-41/h3,6-7,10-11,25,27-29,40H,2,4-5,8-9,12-23H2,1H3,(H,37,47)(H,38,46)(H,39,45)/t27-,28-,29-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(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
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n/an/a 1.20n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008157
PNG
(4-(1-{1-[1-Cyclohexylmethyl-3,3-difluoro-2-hydroxy...)
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)N1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C39H62F2N6O8S/c1-7-15-30(34(49)44-31(24-28-16-11-9-12-17-28)33(48)39(40,41)36(51)42-26-27(3)8-2)43-35(50)32(25-29-18-13-10-14-19-29)45-56(53,54)47-22-20-46(21-23-47)37(52)55-38(4,5)6/h7,10,13-14,18-19,27-28,30-33,45,48H,1,8-9,11-12,15-17,20-26H2,2-6H3,(H,42,51)(H,43,50)(H,44,49)/t27-,30-,31-,32-,33?/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008146
PNG
(2-[3-(4-Methoxy-phenyl)-2-(morpholine-4-sulfonylam...)
Show SMILES COc1ccc(C[C@H](NS(=O)(=O)N2CCOCC2)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CC2CCCCC2)C(O)C(F)(F)C(=O)NCCN2CCOCC2)cc1
Show InChI InChI=1S/C36H56F2N6O9S/c1-3-7-29(40-34(47)31(25-27-10-12-28(51-2)13-11-27)42-54(49,50)44-18-22-53-23-19-44)33(46)41-30(24-26-8-5-4-6-9-26)32(45)36(37,38)35(48)39-14-15-43-16-20-52-21-17-43/h3,10-13,26,29-32,42,45H,1,4-9,14-25H2,2H3,(H,39,48)(H,40,47)(H,41,46)/t29-,30-,31-,32?/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008161
PNG
(5-Cyclohexyl-2,2-difluoro-3-hydroxy-4-{2-[2-(morph...)
Show SMILES CCOC(=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/C31H46F2N4O8S/c1-3-11-24(28(39)35-25(20-22-12-7-5-8-13-22)27(38)31(32,33)30(41)45-4-2)34-29(40)26(21-23-14-9-6-10-15-23)36-46(42,43)37-16-18-44-19-17-37/h3,6,9-10,14-15,22,24-27,36,38H,1,4-5,7-8,11-13,16-21H2,2H3,(H,34,40)(H,35,39)/t24-,25-,26-,27?/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008134
PNG
(5-Cyclohexyl-2,2-difluoro-4-{2-[2-(morpholine-4-su...)
Show SMILES CCCO[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C35H54F2N6O9S/c1-2-19-52-33(40-31(45)29(25-27-11-7-4-8-12-27)41-53(48,49)43-17-22-51-23-18-43)32(46)39-28(24-26-9-5-3-6-10-26)30(44)35(36,37)34(47)38-13-14-42-15-20-50-21-16-42/h4,7-8,11-12,26,28-29,33,41H,2-3,5-6,9-10,13-25H2,1H3,(H,38,47)(H,39,46)(H,40,45)/t28-,29-,33-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008128
PNG
(6-(3-Methyl-thioureido)-2-[2-(morpholine-4-sulfony...)
Show SMILES CNC(=S)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C38H62F2N8O8S2/c1-41-37(57)43-15-9-8-14-30(44-35(51)32(27-29-12-6-3-7-13-29)46-58(53,54)48-20-24-56-25-21-48)34(50)45-31(26-28-10-4-2-5-11-28)33(49)38(39,40)36(52)42-16-17-47-18-22-55-23-19-47/h3,6-7,12-13,28,30-33,46,49H,2,4-5,8-11,14-27H2,1H3,(H,42,52)(H,44,51)(H,45,50)(H2,41,43,57)/t30-,31-,32-,33?/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008152
PNG
(4-(1-{1-[1-Cyclohexylmethyl-3,3-difluoro-3-(2-meth...)
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)N1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C39H60F2N6O8S/c1-7-15-30(34(49)44-31(24-28-16-11-9-12-17-28)33(48)39(40,41)36(51)42-26-27(3)8-2)43-35(50)32(25-29-18-13-10-14-19-29)45-56(53,54)47-22-20-46(21-23-47)37(52)55-38(4,5)6/h7,10,13-14,18-19,27-28,30-32,45H,1,8-9,11-12,15-17,20-26H2,2-6H3,(H,42,51)(H,43,50)(H,44,49)/t27-,30-,31-,32-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008126
PNG
(5-Cyclohexyl-2,2-difluoro-3-hydroxy-4-{3-(1H-imida...)
Show SMILES OC([C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C36H54F2N8O8S/c37-36(38,35(50)40-11-12-45-13-17-53-18-14-45)32(47)29(21-26-7-3-1-4-8-26)42-33(48)30(23-28-24-39-25-41-28)43-34(49)31(22-27-9-5-2-6-10-27)44-55(51,52)46-15-19-54-20-16-46/h2,5-6,9-10,24-26,29-32,44,47H,1,3-4,7-8,11-23H2,(H,39,41)(H,40,50)(H,42,48)(H,43,49)/t29-,30-,31-,32?/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008160
PNG
((1-{1-[1-Cyclohexylmethyl-3,3-difluoro-3-(2-morpho...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C36H53F2N5O7/c1-5-12-27(40-32(46)29(24-26-15-10-7-11-16-26)42-34(48)50-35(2,3)4)31(45)41-28(23-25-13-8-6-9-14-25)30(44)36(37,38)33(47)39-17-18-43-19-21-49-22-20-43/h5,7,10-11,15-16,25,27-29H,1,6,8-9,12-14,17-24H2,2-4H3,(H,39,47)(H,40,46)(H,41,45)(H,42,48)/t27-,28-,29-/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008143
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-oxo-3-phenyl-p...)
Show SMILES FC(F)(C(=O)NCCN1CCOCC1)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@@H](NS(=O)(=O)N1CCOCC1)C(=O)c1ccccc1
Show InChI InChI=1S/C35H50F2N6O9S/c1-2-9-27(39-33(47)29(30(44)26-12-7-4-8-13-26)41-53(49,50)43-18-22-52-23-19-43)32(46)40-28(24-25-10-5-3-6-11-25)31(45)35(36,37)34(48)38-14-15-42-16-20-51-21-17-42/h2,4,7-8,12-13,25,27-29,41H,1,3,5-6,9-11,14-24H2,(H,38,48)(H,39,47)(H,40,46)/t27-,28-,29-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008152
PNG
(4-(1-{1-[1-Cyclohexylmethyl-3,3-difluoro-3-(2-meth...)
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)N1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C39H60F2N6O8S/c1-7-15-30(34(49)44-31(24-28-16-11-9-12-17-28)33(48)39(40,41)36(51)42-26-27(3)8-2)43-35(50)32(25-29-18-13-10-14-19-29)45-56(53,54)47-22-20-46(21-23-47)37(52)55-38(4,5)6/h7,10,13-14,18-19,27-28,30-32,45H,1,8-9,11-12,15-17,20-26H2,2-6H3,(H,42,51)(H,43,50)(H,44,49)/t27-,30-,31-,32-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008150
PNG
(5-Cyclohexyl-2,2-difluoro-3-hydroxy-4-{2-[2-(morph...)
Show SMILES OC([C@H](CC1CCCCC1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C32H50F2N6O8S/c33-32(34,31(44)35-11-12-39-13-17-47-18-14-39)29(42)26(21-24-7-3-1-4-8-24)37-28(41)23-36-30(43)27(22-25-9-5-2-6-10-25)38-49(45,46)40-15-19-48-20-16-40/h2,5-6,9-10,24,26-27,29,38,42H,1,3-4,7-8,11-23H2,(H,35,44)(H,36,43)(H,37,41)/t26-,27-,29?/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008149
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES CCS[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/C34H51F2N5O7S2/c1-4-12-27(38-32(44)29(22-26-15-10-7-11-16-26)40-50(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)49-5-2/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+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008135
PNG
((1-{1-[1-Cyclohexylmethyl-3,3-difluoro-2-hydroxy-3...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C36H55F2N5O7/c1-5-12-27(40-32(46)29(24-26-15-10-7-11-16-26)42-34(48)50-35(2,3)4)31(45)41-28(23-25-13-8-6-9-14-25)30(44)36(37,38)33(47)39-17-18-43-19-21-49-22-20-43/h5,7,10-11,15-16,25,27-30,44H,1,6,8-9,12-14,17-24H2,2-4H3,(H,39,47)(H,40,46)(H,41,45)(H,42,48)/t27-,28-,29-,30?/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008129
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES FC(F)(C(=O)NCCc1ccccn1)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C36H48F2N6O7S/c1-2-11-29(41-34(47)31(25-27-14-7-4-8-15-27)43-52(49,50)44-20-22-51-23-21-44)33(46)42-30(24-26-12-5-3-6-13-26)32(45)36(37,38)35(48)40-19-17-28-16-9-10-18-39-28/h2,4,7-10,14-16,18,26,29-31,43H,1,3,5-6,11-13,17,19-25H2,(H,40,48)(H,41,47)(H,42,46)/t29-,30-,31-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008145
PNG
(CHEMBL286147 | Morpholine-4-carboxylic acid (1-{1-...)
Show SMILES FC(F)(C(=O)NCCN1CCOCC1)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1
Show InChI InChI=1S/C36H52F2N6O7/c1-2-9-28(40-33(47)30(25-27-12-7-4-8-13-27)42-35(49)44-18-22-51-23-19-44)32(46)41-29(24-26-10-5-3-6-11-26)31(45)36(37,38)34(48)39-14-15-43-16-20-50-21-17-43/h2,4,7-8,12-13,26,28-30H,1,3,5-6,9-11,14-25H2,(H,39,48)(H,40,47)(H,41,46)(H,42,49)/t28-,29-,30-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008133
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C36H56F2N6O8S/c1-2-3-14-29(40-34(47)31(26-28-12-8-5-9-13-28)42-53(49,50)44-19-23-52-24-20-44)33(46)41-30(25-27-10-6-4-7-11-27)32(45)36(37,38)35(48)39-15-16-43-17-21-51-22-18-43/h5,8-9,12-13,27,29-31,42H,2-4,6-7,10-11,14-26H2,1H3,(H,39,48)(H,40,47)(H,41,46)/t29-,30-,31-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008158
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES CCS[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/C34H53F2N5O7S2/c1-4-12-27(38-32(44)29(22-26-15-10-7-11-16-26)40-50(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)49-5-2/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?/m1/s1
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n/an/a 37n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008127
PNG
(2-[3-Phenyl-2-(piperazine-1-sulfonylamino)-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)N1CCNCC1
Show InChI InChI=1S/C34H52F2N6O6S/c1-4-12-27(39-32(45)29(22-26-15-10-7-11-16-26)41-49(47,48)42-19-17-37-18-20-42)31(44)40-28(21-25-13-8-6-9-14-25)30(43)34(35,36)33(46)38-23-24(3)5-2/h4,7,10-11,15-16,24-25,27-29,37,41H,1,5-6,8-9,12-14,17-23H2,2-3H3,(H,38,46)(H,39,45)(H,40,44)/t24-,27-,28-,29-/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008122
PNG
(5-Cyclohexyl-2,2-difluoro-4-{2-[2-(morpholine-4-su...)
Show SMILES CCOC(=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/C31H44F2N4O8S/c1-3-11-24(28(39)35-25(20-22-12-7-5-8-13-22)27(38)31(32,33)30(41)45-4-2)34-29(40)26(21-23-14-9-6-10-15-23)36-46(42,43)37-16-18-44-19-17-37/h3,6,9-10,14-15,22,24-26,36H,1,4-5,7-8,11-13,16-21H2,2H3,(H,34,40)(H,35,39)/t24-,25-,26-/m0/s1
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n/an/a 69n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008147
PNG
(2-[3-(4-Methoxy-phenyl)-2-(morpholine-4-sulfonylam...)
Show SMILES COc1ccc(C[C@H](NS(=O)(=O)N2CCOCC2)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CC2CCCCC2)C(=O)C(F)(F)C(=O)NCCN2CCOCC2)cc1
Show InChI InChI=1S/C36H54F2N6O9S/c1-3-7-29(40-34(47)31(25-27-10-12-28(51-2)13-11-27)42-54(49,50)44-18-22-53-23-19-44)33(46)41-30(24-26-8-5-4-6-9-26)32(45)36(37,38)35(48)39-14-15-43-16-20-52-21-17-43/h3,10-13,26,29-31,42H,1,4-9,14-25H2,2H3,(H,39,48)(H,40,47)(H,41,46)/t29-,30-,31-/m0/s1
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n/an/a 71n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008136
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/C35H46F2N6O8S/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/h2-8,10-13,28-30,41H,1,9,14-25H2,(H,38,47)(H,39,46)(H,40,45)/t28-,29-,30-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008155
PNG
(2-[3-Hydroxy-2-(morpholine-4-sulfonylamino)-3-phen...)
Show SMILES OC([C@H](NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1)c1ccccc1
Show InChI InChI=1S/C35H54F2N6O9S/c1-2-9-27(39-33(47)29(30(44)26-12-7-4-8-13-26)41-53(49,50)43-18-22-52-23-19-43)32(46)40-28(24-25-10-5-3-6-11-25)31(45)35(36,37)34(48)38-14-15-42-16-20-51-21-17-42/h2,4,7-8,12-13,25,27-31,41,44-45H,1,3,5-6,9-11,14-24H2,(H,38,48)(H,39,47)(H,40,46)/t27-,28-,29-,30?,31?/m0/s1
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n/an/a 98n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50008120
PNG
((4-{[1-Cyclohexylmethyl-3,3-difluoro-2-hydroxy-3-(...)
Show SMILES OC([C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)c1csc(NC(=O)OCc2ccccc2)n1)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C43H58F2N8O10S2/c44-43(45,40(57)46-16-17-52-18-22-61-23-19-52)37(54)33(26-30-10-4-1-5-11-30)47-39(56)36(35-29-64-41(48-35)50-42(58)63-28-32-14-8-3-9-15-32)49-38(55)34(27-31-12-6-2-7-13-31)51-65(59,60)53-20-24-62-25-21-53/h2-3,6-9,12-15,29-30,33-34,36-37,51,54H,1,4-5,10-11,16-28H2,(H,46,57)(H,47,56)(H,49,55)(H,48,50,58)/t33-,34-,36-,37?/m0/s1
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n/an/a 164n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
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
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n/an/a 164n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008141
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES OC([C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(F)(F)C(=O)NCCc1ccccn1
Show InChI InChI=1S/C36H50F2N6O7S/c1-2-11-29(41-34(47)31(25-27-14-7-4-8-15-27)43-52(49,50)44-20-22-51-23-21-44)33(46)42-30(24-26-12-5-3-6-13-26)32(45)36(37,38)35(48)40-19-17-28-16-9-10-18-39-28/h2,4,7-10,14-16,18,26,29-32,43,45H,1,3,5-6,11-13,17,19-25H2,(H,40,48)(H,41,47)(H,42,46)/t29-,30-,31-,32?/m0/s1
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n/an/a 165n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008140
PNG
(5-Cyclohexyl-2,2-difluoro-4-{2-[2-(morpholine-4-su...)
Show SMILES CC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C34H50F2N6O9S/c1-24(43)29(39-31(45)28(23-26-10-6-3-7-11-26)40-52(48,49)42-16-20-51-21-17-42)32(46)38-27(22-25-8-4-2-5-9-25)30(44)34(35,36)33(47)37-12-13-41-14-18-50-19-15-41/h3,6-7,10-11,25,27-29,40H,2,4-5,8-9,12-23H2,1H3,(H,37,47)(H,38,46)(H,39,45)/t27-,28-,29-/m0/s1
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n/an/a 202n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008134
PNG
(5-Cyclohexyl-2,2-difluoro-4-{2-[2-(morpholine-4-su...)
Show SMILES CCCO[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C35H54F2N6O9S/c1-2-19-52-33(40-31(45)29(25-27-11-7-4-8-12-27)41-53(48,49)43-17-22-51-23-18-43)32(46)39-28(24-26-9-5-3-6-10-26)30(44)35(36,37)34(47)38-13-14-42-15-20-50-21-16-42/h4,7-8,11-12,26,28-29,33,41H,2-3,5-6,9-10,13-25H2,1H3,(H,38,47)(H,39,46)(H,40,45)/t28-,29-,33-/m0/s1
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n/an/a 237n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008157
PNG
(4-(1-{1-[1-Cyclohexylmethyl-3,3-difluoro-2-hydroxy...)
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)N1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C39H62F2N6O8S/c1-7-15-30(34(49)44-31(24-28-16-11-9-12-17-28)33(48)39(40,41)36(51)42-26-27(3)8-2)43-35(50)32(25-29-18-13-10-14-19-29)45-56(53,54)47-22-20-46(21-23-47)37(52)55-38(4,5)6/h7,10,13-14,18-19,27-28,30-33,45,48H,1,8-9,11-12,15-17,20-26H2,2-6H3,(H,42,51)(H,43,50)(H,44,49)/t27-,30-,31-,32-,33?/m0/s1
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n/an/a 259n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008162
PNG
(CHEMBL31621 | N-[1-Cyclohexylmethyl-3,3-difluoro-3...)
Show SMILES COC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C34H50F2N6O10S/c1-50-32(46)28(39-30(44)27(23-25-10-6-3-7-11-25)40-53(48,49)42-16-20-52-21-17-42)31(45)38-26(22-24-8-4-2-5-9-24)29(43)34(35,36)33(47)37-12-13-41-14-18-51-19-15-41/h3,6-7,10-11,24,26-28,40H,2,4-5,8-9,12-23H2,1H3,(H,37,47)(H,38,45)(H,39,44)/t26-,27-,28+/m0/s1
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n/an/a 515n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008148
PNG
(5-Cyclohexyl-2,2-difluoro-3-hydroxy-4-{2-[2-(morph...)
Show SMILES CCCO[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C35H56F2N6O9S/c1-2-19-52-33(40-31(45)29(25-27-11-7-4-8-12-27)41-53(48,49)43-17-22-51-23-18-43)32(46)39-28(24-26-9-5-3-6-10-26)30(44)35(36,37)34(47)38-13-14-42-15-20-50-21-16-42/h4,7-8,11-12,26,28-30,33,41,44H,2-3,5-6,9-10,13-25H2,1H3,(H,38,47)(H,39,46)(H,40,45)/t28-,29-,30?,33-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008131
PNG
(2-[2-(4-Methyl-piperazine-1-sulfonylamino)-3-pheny...)
Show SMILES CN1CCN(CC1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C36H55F2N7O7S/c1-3-10-29(40-34(48)31(26-28-13-8-5-9-14-28)42-53(50,51)45-19-17-43(2)18-20-45)33(47)41-30(25-27-11-6-4-7-12-27)32(46)36(37,38)35(49)39-15-16-44-21-23-52-24-22-44/h3,5,8-9,13-14,27,29-31,42H,1,4,6-7,10-12,15-26H2,2H3,(H,39,49)(H,40,48)(H,41,47)/t29-,30-,31-/m0/s1
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n/an/a 728n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008121
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES FC(F)(C(=O)NCCN1CCOCC1)C(=O)[C@@H](NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C1CCCCC1
Show InChI InChI=1S/C34H50F2N6O8S/c1-2-9-27(38-32(45)28(24-25-10-5-3-6-11-25)40-51(47,48)42-18-22-50-23-19-42)31(44)39-29(26-12-7-4-8-13-26)30(43)34(35,36)33(46)37-14-15-41-16-20-49-21-17-41/h2-3,5-6,10-11,26-29,40H,1,4,7-9,12-24H2,(H,37,46)(H,38,45)(H,39,44)/t27-,28-,29-/m0/s1
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n/an/a 761n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008161
PNG
(5-Cyclohexyl-2,2-difluoro-3-hydroxy-4-{2-[2-(morph...)
Show SMILES CCOC(=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/C31H46F2N4O8S/c1-3-11-24(28(39)35-25(20-22-12-7-5-8-13-22)27(38)31(32,33)30(41)45-4-2)34-29(40)26(21-23-14-9-6-10-15-23)36-46(42,43)37-16-18-44-19-17-37/h3,6,9-10,14-15,22,24-27,36,38H,1,4-5,7-8,11-13,16-21H2,2H3,(H,34,40)(H,35,39)/t24-,25-,26-,27?/m0/s1
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n/an/a 767n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008138
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C36H58F2N6O8S/c1-2-3-14-29(40-34(47)31(26-28-12-8-5-9-13-28)42-53(49,50)44-19-23-52-24-20-44)33(46)41-30(25-27-10-6-4-7-11-27)32(45)36(37,38)35(48)39-15-16-43-17-21-51-22-18-43/h5,8-9,12-13,27,29-32,42,45H,2-4,6-7,10-11,14-26H2,1H3,(H,39,48)(H,40,47)(H,41,46)/t29-,30-,31-,32?/m0/s1
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n/an/a 1.11E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008160
PNG
((1-{1-[1-Cyclohexylmethyl-3,3-difluoro-3-(2-morpho...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C36H53F2N5O7/c1-5-12-27(40-32(46)29(24-26-15-10-7-11-16-26)42-34(48)50-35(2,3)4)31(45)41-28(23-25-13-8-6-9-14-25)30(44)36(37,38)33(47)39-17-18-43-19-21-49-22-20-43/h5,7,10-11,15-16,25,27-29H,1,6,8-9,12-14,17-24H2,2-4H3,(H,39,47)(H,40,46)(H,41,45)(H,42,48)/t27-,28-,29-/m0/s1
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n/an/a 1.42E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008151
PNG
(2-[3-Phenyl-2-(3-pyridin-3-yl-propionylamino)-prop...)
Show SMILES FC(F)(C(=O)NCCN1CCOCC1)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1cccnc1
Show InChI InChI=1S/C39H52F2N6O6/c1-2-10-31(45-37(51)33(26-29-13-7-4-8-14-29)44-34(48)17-16-30-15-9-18-42-27-30)36(50)46-32(25-28-11-5-3-6-12-28)35(49)39(40,41)38(52)43-19-20-47-21-23-53-24-22-47/h2,4,7-9,13-15,18,27-28,31-33H,1,3,5-6,10-12,16-17,19-26H2,(H,43,52)(H,44,48)(H,45,51)(H,46,50)/t31-,32-,33-/m0/s1
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n/an/a 1.66E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008143
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-oxo-3-phenyl-p...)
Show SMILES FC(F)(C(=O)NCCN1CCOCC1)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@@H](NS(=O)(=O)N1CCOCC1)C(=O)c1ccccc1
Show InChI InChI=1S/C35H50F2N6O9S/c1-2-9-27(39-33(47)29(30(44)26-12-7-4-8-13-26)41-53(49,50)43-18-22-52-23-19-43)32(46)40-28(24-25-10-5-3-6-11-25)31(45)35(36,37)34(48)38-14-15-42-16-20-51-21-17-42/h2,4,7-8,12-13,25,27-29,41H,1,3,5-6,9-11,14-24H2,(H,38,48)(H,39,47)(H,40,46)/t27-,28-,29-/m0/s1
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n/an/a 1.81E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008142
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES OC([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/C35H48F2N6O8S/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/h2-8,10-13,28-31,41,44H,1,9,14-25H2,(H,38,47)(H,39,46)(H,40,45)/t28-,29-,30-,31?/m0/s1
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n/an/a 1.83E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008153
PNG
(CHEMBL32575 | Morpholine-4-carboxylic acid (1-{1-[...)
Show SMILES OC([C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C36H54F2N6O7/c1-2-9-28(40-33(47)30(25-27-12-7-4-8-13-27)42-35(49)44-18-22-51-23-19-44)32(46)41-29(24-26-10-5-3-6-11-26)31(45)36(37,38)34(48)39-14-15-43-16-20-50-21-17-43/h2,4,7-8,12-13,26,28-31,45H,1,3,5-6,9-11,14-25H2,(H,39,48)(H,40,47)(H,41,46)(H,42,49)/t28-,29-,30-,31?/m0/s1
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n/an/a 2.38E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008156
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES OC([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
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n/an/a 2.71E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50006856
PNG
(4-{3-(2-Amino-thiazol-4-yl)-2-[2-(morpholine-4-sul...)
Show SMILES Nc1nc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N2CCOCC2)C(=O)N[C@@H](CC2CCCCC2)C(=O)C(F)(F)C(=O)NCCN2CCOCC2)cs1
Show InChI InChI=1S/C36H52F2N8O8S2/c37-36(38,34(50)40-11-12-45-13-17-53-18-14-45)31(47)28(21-25-7-3-1-4-8-25)42-32(48)29(23-27-24-55-35(39)41-27)43-33(49)30(22-26-9-5-2-6-10-26)44-56(51,52)46-15-19-54-20-16-46/h2,5-6,9-10,24-25,28-30,44H,1,3-4,7-8,11-23H2,(H2,39,41)(H,40,50)(H,42,48)(H,43,49)/t28-,29-,30-/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008146
PNG
(2-[3-(4-Methoxy-phenyl)-2-(morpholine-4-sulfonylam...)
Show SMILES COc1ccc(C[C@H](NS(=O)(=O)N2CCOCC2)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CC2CCCCC2)C(O)C(F)(F)C(=O)NCCN2CCOCC2)cc1
Show InChI InChI=1S/C36H56F2N6O9S/c1-3-7-29(40-34(47)31(25-27-10-12-28(51-2)13-11-27)42-54(49,50)44-18-22-53-23-19-44)33(46)41-30(24-26-8-5-4-6-9-26)32(45)36(37,38)35(48)39-14-15-43-16-20-52-21-17-43/h3,10-13,26,29-32,42,45H,1,4-9,14-25H2,2H3,(H,39,48)(H,40,47)(H,41,46)/t29-,30-,31-,32?/m0/s1
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n/an/a 4.57E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008154
PNG
(2-[3-Phenyl-2-(piperazine-1-sulfonylamino)-propion...)
Show SMILES OC([C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCNCC1)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C35H55F2N7O7S/c1-2-9-28(40-33(47)30(25-27-12-7-4-8-13-27)42-52(49,50)44-18-14-38-15-19-44)32(46)41-29(24-26-10-5-3-6-11-26)31(45)35(36,37)34(48)39-16-17-43-20-22-51-23-21-43/h2,4,7-8,12-13,26,28-31,38,42,45H,1,3,5-6,9-11,14-25H2,(H,39,48)(H,40,47)(H,41,46)/t28-,29-,30-,31?/m0/s1
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n/an/a 6.85E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50368310
PNG
(CHEMBL1790136)
Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C34H54F2N6O9S/c1-24(43)29(39-31(45)28(23-26-10-6-3-7-11-26)40-52(48,49)42-16-20-51-21-17-42)32(46)38-27(22-25-8-4-2-5-9-25)30(44)34(35,36)33(47)37-12-13-41-14-18-50-19-15-41/h3,6-7,10-11,24-25,27-30,40,43-44H,2,4-5,8-9,12-23H2,1H3,(H,37,47)(H,38,46)(H,39,45)/t24-,27-,28-,29-,30?/m0/s1
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n/an/a 7.95E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008128
PNG
(6-(3-Methyl-thioureido)-2-[2-(morpholine-4-sulfony...)
Show SMILES CNC(=S)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C38H62F2N8O8S2/c1-41-37(57)43-15-9-8-14-30(44-35(51)32(27-29-12-6-3-7-13-29)46-58(53,54)48-20-24-56-25-21-48)34(50)45-31(26-28-10-4-2-5-11-28)33(49)38(39,40)36(52)42-16-17-47-18-22-55-23-19-47/h3,6-7,12-13,28,30-33,46,49H,2,4-5,8-11,14-27H2,1H3,(H,42,52)(H,44,51)(H,45,50)(H2,41,43,57)/t30-,31-,32-,33?/m0/s1
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n/an/a 9.95E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008120
PNG
((4-{[1-Cyclohexylmethyl-3,3-difluoro-2-hydroxy-3-(...)
Show SMILES OC([C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)c1csc(NC(=O)OCc2ccccc2)n1)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C43H58F2N8O10S2/c44-43(45,40(57)46-16-17-52-18-22-61-23-19-52)37(54)33(26-30-10-4-1-5-11-30)47-39(56)36(35-29-64-41(48-35)50-42(58)63-28-32-14-8-3-9-15-32)49-38(55)34(27-31-12-6-2-7-13-31)51-65(59,60)53-20-24-62-25-21-53/h2-3,6-9,12-15,29-30,33-34,36-37,51,54H,1,4-5,10-11,16-28H2,(H,46,57)(H,47,56)(H,49,55)(H,48,50,58)/t33-,34-,36-,37?/m0/s1
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n/an/a 1.69E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008125
PNG
(CHEMBL285207 | N-[1-Cyclohexylmethyl-3,3-difluoro-...)
Show SMILES COC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C34H52F2N6O10S/c1-50-32(46)28(39-30(44)27(23-25-10-6-3-7-11-25)40-53(48,49)42-16-20-52-21-17-42)31(45)38-26(22-24-8-4-2-5-9-24)29(43)34(35,36)33(47)37-12-13-41-14-18-51-19-15-41/h3,6-7,10-11,24,26-29,40,43H,2,4-5,8-9,12-23H2,1H3,(H,37,47)(H,38,45)(H,39,44)/t26-,27-,28+,29?/m0/s1
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n/an/a 1.77E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008135
PNG
((1-{1-[1-Cyclohexylmethyl-3,3-difluoro-2-hydroxy-3...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C36H55F2N5O7/c1-5-12-27(40-32(46)29(24-26-15-10-7-11-16-26)42-34(48)50-35(2,3)4)31(45)41-28(23-25-13-8-6-9-14-25)30(44)36(37,38)33(47)39-17-18-43-19-21-49-22-20-43/h5,7,10-11,15-16,25,27-30,44H,1,6,8-9,12-14,17-24H2,2-4H3,(H,39,47)(H,40,46)(H,41,45)(H,42,48)/t27-,28-,29-,30?/m0/s1
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n/an/a 1.88E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008137
PNG
(2-[2-(4-Methyl-piperazine-1-sulfonylamino)-3-pheny...)
Show SMILES CN1CCN(CC1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C36H57F2N7O7S/c1-3-10-29(40-34(48)31(26-28-13-8-5-9-14-28)42-53(50,51)45-19-17-43(2)18-20-45)33(47)41-30(25-27-11-6-4-7-12-27)32(46)36(37,38)35(49)39-15-16-44-21-23-52-24-22-44/h3,5,8-9,13-14,27,29-32,42,46H,1,4,6-7,10-12,15-26H2,2H3,(H,39,49)(H,40,48)(H,41,47)/t29-,30-,31-,32?/m0/s1
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n/an/a 2.53E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008132
PNG
(5-Cyclohexyl-2,2-difluoro-4-{2-[2-(morpholine-4-su...)
Show SMILES FC(F)(C(=O)NCCN1CCOCC1)C(=O)[C@H](CC1CCCCC1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C32H48F2N6O8S/c33-32(34,31(44)35-11-12-39-13-17-47-18-14-39)29(42)26(21-24-7-3-1-4-8-24)37-28(41)23-36-30(43)27(22-25-9-5-2-6-10-25)38-49(45,46)40-15-19-48-20-16-40/h2,5-6,9-10,24,26-27,38H,1,3-4,7-8,11-23H2,(H,35,44)(H,36,43)(H,37,41)/t26-,27-/m0/s1
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n/an/a 6.72E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008144
PNG
(4-{3-(2-Amino-thiazol-4-yl)-2-[2-(morpholine-4-sul...)
Show SMILES Nc1nc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N2CCOCC2)C(=O)N[C@@H](CC2CCCCC2)C(O)C(F)(F)C(=O)NCCN2CCOCC2)cs1
Show InChI InChI=1S/C36H54F2N8O8S2/c37-36(38,34(50)40-11-12-45-13-17-53-18-14-45)31(47)28(21-25-7-3-1-4-8-25)42-32(48)29(23-27-24-55-35(39)41-27)43-33(49)30(22-26-9-5-2-6-10-26)44-56(51,52)46-15-19-54-20-16-46/h2,5-6,9-10,24-25,28-31,44,47H,1,3-4,7-8,11-23H2,(H2,39,41)(H,40,50)(H,42,48)(H,43,49)/t28-,29-,30-,31?/m0/s1
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n/an/a 9.50E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008150
PNG
(5-Cyclohexyl-2,2-difluoro-3-hydroxy-4-{2-[2-(morph...)
Show SMILES OC([C@H](CC1CCCCC1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C32H50F2N6O8S/c33-32(34,31(44)35-11-12-39-13-17-47-18-14-39)29(42)26(21-24-7-3-1-4-8-24)37-28(41)23-36-30(43)27(22-25-9-5-2-6-10-25)38-49(45,46)40-15-19-48-20-16-40/h2,5-6,9-10,24,26-27,29,38,42H,1,3-4,7-8,11-23H2,(H,35,44)(H,36,43)(H,37,41)/t26-,27-,29?/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008155
PNG
(2-[3-Hydroxy-2-(morpholine-4-sulfonylamino)-3-phen...)
Show SMILES OC([C@H](NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1)c1ccccc1
Show InChI InChI=1S/C35H54F2N6O9S/c1-2-9-27(39-33(47)29(30(44)26-12-7-4-8-13-26)41-53(49,50)43-18-22-52-23-19-43)32(46)40-28(24-25-10-5-3-6-11-25)31(45)35(36,37)34(48)38-14-15-42-16-20-51-21-17-42/h2,4,7-8,12-13,25,27-31,41,44-45H,1,3,5-6,9-11,14-24H2,(H,38,48)(H,39,47)(H,40,46)/t27-,28-,29-,30?,31?/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008126
PNG
(5-Cyclohexyl-2,2-difluoro-3-hydroxy-4-{3-(1H-imida...)
Show SMILES OC([C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C36H54F2N8O8S/c37-36(38,35(50)40-11-12-45-13-17-53-18-14-45)32(47)29(21-26-7-3-1-4-8-26)42-33(48)30(23-28-24-39-25-41-28)43-34(49)31(22-27-9-5-2-6-10-27)44-55(51,52)46-15-19-54-20-16-46/h2,5-6,9-10,24-26,29-32,44,47H,1,3-4,7-8,11-23H2,(H,39,41)(H,40,50)(H,42,48)(H,43,49)/t29-,30-,31-,32?/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008130
PNG
(2-[3-Phenyl-2-(3-pyridin-3-yl-propionylamino)-prop...)
Show SMILES OC([C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1cccnc1)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C39H54F2N6O6/c1-2-10-31(45-37(51)33(26-29-13-7-4-8-14-29)44-34(48)17-16-30-15-9-18-42-27-30)36(50)46-32(25-28-11-5-3-6-12-28)35(49)39(40,41)38(52)43-19-20-47-21-23-53-24-22-47/h2,4,7-9,13-15,18,27-28,31-33,35,49H,1,3,5-6,10-12,16-17,19-26H2,(H,43,52)(H,44,48)(H,45,51)(H,46,50)/t31-,32-,33-,35?/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008123
PNG
(5-Cyclohexyl-2,2-difluoro-4-{3-(1H-imidazol-4-yl)-...)
Show SMILES FC(F)(C(=O)NCCN1CCOCC1)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C36H52F2N8O8S/c37-36(38,35(50)40-11-12-45-13-17-53-18-14-45)32(47)29(21-26-7-3-1-4-8-26)42-33(48)30(23-28-24-39-25-41-28)43-34(49)31(22-27-9-5-2-6-10-27)44-55(51,52)46-15-19-54-20-16-46/h2,5-6,9-10,24-26,29-31,44H,1,3-4,7-8,11-23H2,(H,39,41)(H,40,50)(H,42,48)(H,43,49)/t29-,30-,31-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50008124
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES OC([C@@H](NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C1CCCCC1)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C34H52F2N6O8S/c1-2-9-27(38-32(45)28(24-25-10-5-3-6-11-25)40-51(47,48)42-18-22-50-23-19-42)31(44)39-29(26-12-7-4-8-13-26)30(43)34(35,36)33(46)37-14-15-41-16-20-49-21-17-41/h2-3,5-6,10-11,26-30,40,43H,1,4,7-9,12-24H2,(H,37,46)(H,38,45)(H,39,44)/t27-,28-,29-,30?/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Cathepsin D


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%