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Compile Data Set for Download or QSAR

Found 557 hits with Last Name = 'kaltenbronn' and Initial = 'js'   
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.


J Med Chem 35: 2-14 (1992)


Article DOI: 10.1021/jm00079a001
BindingDB Entry DOI: 10.7270/Q22J6CGV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50005417
PNG
(CHEMBL266334 | N-[(1-Cyclohexylmethyl-2,3-dihydrox...)
Show SMILES CCSC(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C31H52N4O7S2/c1-4-43-31(30(39)32-25(20-23-11-7-5-8-12-23)28(37)27(36)19-22(2)3)33-29(38)26(21-24-13-9-6-10-14-24)34-44(40,41)35-15-17-42-18-16-35/h6,9-10,13-14,22-23,25-28,31,34,36-37H,4-5,7-8,11-12,15-21H2,1-3H3,(H,32,39)(H,33,38)/t25-,26-,27-,28+,31?/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
Inhibitory concentration against renin monkey plasma


J Med Chem 36: 3809-20 (1994)


Article DOI: 10.1021/jm00076a008
BindingDB Entry DOI: 10.7270/Q24T6HFF
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50005417
PNG
(CHEMBL266334 | N-[(1-Cyclohexylmethyl-2,3-dihydrox...)
Show SMILES CCSC(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C31H52N4O7S2/c1-4-43-31(30(39)32-25(20-23-11-7-5-8-12-23)28(37)27(36)19-22(2)3)33-29(38)26(21-24-13-9-6-10-14-24)34-44(40,41)35-15-17-42-18-16-35/h6,9-10,13-14,22-23,25-28,31,34,36-37H,4-5,7-8,11-12,15-21H2,1-3H3,(H,32,39)(H,33,38)/t25-,26-,27-,28+,31?/m0/s1
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n/an/a 0.130n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey renin in vitro.


J Med Chem 35: 1032-42 (1992)


Article DOI: 10.1021/jm00084a008
BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012246
PNG
(CHEMBL58153 | N-(1-Cyclohexylmethyl-2,3-dihydroxy-...)
Show SMILES COC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@H](O)CC(C)C
Show InChI InChI=1S/C31H50N4O9S/c1-21(2)18-26(36)28(37)24(19-22-10-6-4-7-11-22)32-30(39)27(31(40)43-3)33-29(38)25(20-23-12-8-5-9-13-23)34-45(41,42)35-14-16-44-17-15-35/h5,8-9,12-13,21-22,24-28,34,36-37H,4,6-7,10-11,14-20H2,1-3H3,(H,32,39)(H,33,38)/t24-,25-,26+,27?,28+/m0/s1
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n/an/a 0.140n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of monkey plasma renin


J Med Chem 34: 1935-43 (1991)


Article DOI: 10.1021/jm00111a002
BindingDB Entry DOI: 10.7270/Q2NG4R73
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50005437
PNG
(CHEMBL8477 | N-[Allylsulfanyl-(1-cyclohexylmethyl-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)SCC=C
Show InChI InChI=1S/C32H52N4O7S2/c1-4-19-44-32(31(40)33-26(21-24-11-7-5-8-12-24)29(38)28(37)20-23(2)3)34-30(39)27(22-25-13-9-6-10-14-25)35-45(41,42)36-15-17-43-18-16-36/h4,6,9-10,13-14,23-24,26-29,32,35,37-38H,1,5,7-8,11-12,15-22H2,2-3H3,(H,33,40)(H,34,39)/t26-,27-,28-,29+,32?/m0/s1
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n/an/a 0.170n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey renin in vitro.


J Med Chem 35: 1032-42 (1992)


Article DOI: 10.1021/jm00084a008
BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012250
PNG
(CHEMBL58947 | N-(1-Cyclohexylmethyl-2,3-dihydroxy-...)
Show SMILES COC(=O)CC(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@H](O)CC(C)C
Show InChI InChI=1S/C32H52N4O9S/c1-22(2)18-28(37)30(39)25(19-23-10-6-4-7-11-23)33-31(40)26(21-29(38)44-3)34-32(41)27(20-24-12-8-5-9-13-24)35-46(42,43)36-14-16-45-17-15-36/h5,8-9,12-13,22-23,25-28,30,35,37,39H,4,6-7,10-11,14-21H2,1-3H3,(H,33,40)(H,34,41)/t25-,26?,27-,28+,30+/m0/s1
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n/an/a 0.180n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of monkey plasma renin


J Med Chem 34: 1935-43 (1991)


Article DOI: 10.1021/jm00111a002
BindingDB Entry DOI: 10.7270/Q2NG4R73
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50005443
PNG
(CHEMBL441325 | N-[(1-Cyclohexylmethyl-2,3-dihydrox...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)OCC(F)(F)F
Show InChI InChI=1S/C31H49F3N4O8S/c1-21(2)17-26(39)27(40)24(18-22-9-5-3-6-10-22)35-29(42)30(46-20-31(32,33)34)36-28(41)25(19-23-11-7-4-8-12-23)37-47(43,44)38-13-15-45-16-14-38/h4,7-8,11-12,21-22,24-27,30,37,39-40H,3,5-6,9-10,13-20H2,1-2H3,(H,35,42)(H,36,41)/t24-,25-,26-,27+,30?/m0/s1
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n/an/a 0.180n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey renin in vitro.


J Med Chem 35: 1032-42 (1992)


Article DOI: 10.1021/jm00084a008
BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012246
PNG
(CHEMBL58153 | N-(1-Cyclohexylmethyl-2,3-dihydroxy-...)
Show SMILES COC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@H](O)CC(C)C
Show InChI InChI=1S/C31H50N4O9S/c1-21(2)18-26(36)28(37)24(19-22-10-6-4-7-11-22)32-30(39)27(31(40)43-3)33-29(38)25(20-23-12-8-5-9-13-23)34-45(41,42)35-14-16-44-17-15-35/h5,8-9,12-13,21-22,24-28,34,36-37H,4,6-7,10-11,14-20H2,1-3H3,(H,32,39)(H,33,38)/t24-,25-,26+,27?,28+/m0/s1
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n/an/a 0.190n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of monkey plasma renin


J Med Chem 34: 1935-43 (1991)


Article DOI: 10.1021/jm00111a002
BindingDB Entry DOI: 10.7270/Q2NG4R73
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50282993
PNG
((2S,4R)-4-Cyclohexyl-2-hydroxy-3-((R)-3-methylsulf...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(=O)OC(C)C
Show InChI InChI=1S/C31H48N4O7S/c1-21(2)42-30(39)27(36)24(18-22-10-6-4-7-11-22)32-29(38)26(20-43-3)33-28(37)25(19-23-12-8-5-9-13-23)34-31(40)35-14-16-41-17-15-35/h5,8-9,12-13,21-22,24-27,36H,4,6-7,10-11,14-20H2,1-3H3,(H,32,38)(H,33,37)(H,34,40)/t24-,25-,26-,27+/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of monkey plasma renin


J Med Chem 34: 1935-43 (1991)


Article DOI: 10.1021/jm00111a002
BindingDB Entry DOI: 10.7270/Q2NG4R73
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50005431
PNG
(CHEMBL8665 | N-[(1-Cyclohexylmethyl-2,3-dihydroxy-...)
Show SMILES CCCOC(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C32H54N4O8S/c1-4-17-44-32(31(40)33-26(21-24-11-7-5-8-12-24)29(38)28(37)20-23(2)3)34-30(39)27(22-25-13-9-6-10-14-25)35-45(41,42)36-15-18-43-19-16-36/h6,9-10,13-14,23-24,26-29,32,35,37-38H,4-5,7-8,11-12,15-22H2,1-3H3,(H,33,40)(H,34,39)/t26-,27-,28-,29+,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
Inhibitory activity against monkey renin in vitro.


J Med Chem 35: 1032-42 (1992)


Article DOI: 10.1021/jm00084a008
BindingDB Entry DOI: 10.7270/Q2NG4PKR
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.


J Med Chem 35: 2-14 (1992)


Article DOI: 10.1021/jm00079a001
BindingDB Entry DOI: 10.7270/Q22J6CGV
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.


J Med Chem 35: 2-14 (1992)


Article DOI: 10.1021/jm00079a001
BindingDB Entry DOI: 10.7270/Q22J6CGV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50005442
PNG
(CHEMBL262712 | N-[Allyloxy-(1-cyclohexylmethyl-2,3...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)OCC=C
Show InChI InChI=1S/C32H52N4O8S/c1-4-17-44-32(31(40)33-26(21-24-11-7-5-8-12-24)29(38)28(37)20-23(2)3)34-30(39)27(22-25-13-9-6-10-14-25)35-45(41,42)36-15-18-43-19-16-36/h4,6,9-10,13-14,23-24,26-29,32,35,37-38H,1,5,7-8,11-12,15-22H2,2-3H3,(H,33,40)(H,34,39)/t26-,27-,28-,29+,32?/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
Inhibitory activity against monkey renin in vitro.


J Med Chem 35: 1032-42 (1992)


Article DOI: 10.1021/jm00084a008
BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012251
PNG
(2-{2-(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-he...)
Show SMILES CC(C)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)NC(Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C36H55N7O10S/c1-23(2)17-30(44)32(45)27(18-24-9-5-3-6-10-24)39-34(47)31(35(48)40-29(36(49)50)20-26-21-37-22-38-26)41-33(46)28(19-25-11-7-4-8-12-25)42-54(51,52)43-13-15-53-16-14-43/h4,7-8,11-12,21-24,27-32,42,44-45H,3,5-6,9-10,13-20H2,1-2H3,(H,37,38)(H,39,47)(H,40,48)(H,41,46)(H,49,50)/t27-,28-,29?,30+,31?,32+/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
Inhibition of monkey plasma renin


J Med Chem 34: 1935-43 (1991)


Article DOI: 10.1021/jm00111a002
BindingDB Entry DOI: 10.7270/Q2NG4R73
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50005445
PNG
(CHEMBL267277 | N-[1-(1-Cyclohexylmethyl-2,3-dihydr...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C33H52N6O7S/c1-23(2)17-30(40)31(41)27(18-24-9-5-3-6-10-24)36-32(42)28(20-26-21-34-22-35-26)37-33(43)29(19-25-11-7-4-8-12-25)38-47(44,45)39-13-15-46-16-14-39/h4,7-8,11-12,21-24,27-31,38,40-41H,3,5-6,9-10,13-20H2,1-2H3,(H,34,35)(H,36,42)(H,37,43)/t27-,28?,29-,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
Inhibitory activity against monkey renin


J Med Chem 35: 1032-42 (1992)


Article DOI: 10.1021/jm00084a008
BindingDB Entry DOI: 10.7270/Q2NG4PKR
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.


J Med Chem 35: 2-14 (1992)


Article DOI: 10.1021/jm00079a001
BindingDB Entry DOI: 10.7270/Q22J6CGV
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.


J Med Chem 35: 2-14 (1992)


Article DOI: 10.1021/jm00079a001
BindingDB Entry DOI: 10.7270/Q22J6CGV
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.


J Med Chem 35: 2-14 (1992)


Article DOI: 10.1021/jm00079a001
BindingDB Entry DOI: 10.7270/Q22J6CGV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50005428
PNG
(CHEMBL8836 | N-[(1-Cyclohexylmethyl-2,3-dihydroxy-...)
Show SMILES CCOC(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C31H52N4O8S/c1-4-43-31(30(39)32-25(20-23-11-7-5-8-12-23)28(37)27(36)19-22(2)3)33-29(38)26(21-24-13-9-6-10-14-24)34-44(40,41)35-15-17-42-18-16-35/h6,9-10,13-14,22-23,25-28,31,34,36-37H,4-5,7-8,11-12,15-21H2,1-3H3,(H,32,39)(H,33,38)/t25-,26-,27-,28+,31?/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
Inhibitory activity against monkey renin in vitro.


J Med Chem 35: 1032-42 (1992)


Article DOI: 10.1021/jm00084a008
BindingDB Entry DOI: 10.7270/Q2NG4PKR
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.


J Med Chem 35: 2-14 (1992)


Article DOI: 10.1021/jm00079a001
BindingDB Entry DOI: 10.7270/Q22J6CGV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50042819
PNG
(CHEMBL339340 | N-(1-Cyclohexylmethyl-2,3-dihydroxy...)
Show SMILES COC(=O)C(NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)NC(CC1CCCCC1)C(O)C(O)CC(C)C
Show InChI InChI=1/C31H50N4O9S/c1-21(2)18-26(36)28(37)24(19-22-10-6-4-7-11-22)32-30(39)27(31(40)43-3)33-29(38)25(20-23-12-8-5-9-13-23)34-45(41,42)35-14-16-44-17-15-35/h5,8-9,12-13,21-22,24-28,34,36-37H,4,6-7,10-11,14-20H2,1-3H3,(H,32,39)(H,33,38)
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n/an/a 0.280n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against renin monkey plasma


J Med Chem 36: 3809-20 (1994)


Article DOI: 10.1021/jm00076a008
BindingDB Entry DOI: 10.7270/Q24T6HFF
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.


J Med Chem 35: 2-14 (1992)


Article DOI: 10.1021/jm00079a001
BindingDB Entry DOI: 10.7270/Q22J6CGV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012246
PNG
(CHEMBL58153 | N-(1-Cyclohexylmethyl-2,3-dihydroxy-...)
Show SMILES COC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@H](O)CC(C)C
Show InChI InChI=1S/C31H50N4O9S/c1-21(2)18-26(36)28(37)24(19-22-10-6-4-7-11-22)32-30(39)27(31(40)43-3)33-29(38)25(20-23-12-8-5-9-13-23)34-45(41,42)35-14-16-44-17-15-35/h5,8-9,12-13,21-22,24-28,34,36-37H,4,6-7,10-11,14-20H2,1-3H3,(H,32,39)(H,33,38)/t24-,25-,26+,27?,28+/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
Inhibitory concentration against human renin


J Med Chem 34: 1935-43 (1991)


Article DOI: 10.1021/jm00111a002
BindingDB Entry DOI: 10.7270/Q2NG4R73
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.


J Med Chem 35: 2-14 (1992)


Article DOI: 10.1021/jm00079a001
BindingDB Entry DOI: 10.7270/Q22J6CGV
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.


J Med Chem 35: 2-14 (1992)


Article DOI: 10.1021/jm00079a001
BindingDB Entry DOI: 10.7270/Q22J6CGV
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.


J Med Chem 35: 2-14 (1992)


Article DOI: 10.1021/jm00079a001
BindingDB Entry DOI: 10.7270/Q22J6CGV
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.


J Med Chem 35: 2-14 (1992)


Article DOI: 10.1021/jm00079a001
BindingDB Entry DOI: 10.7270/Q22J6CGV
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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Warner-Lambert Company

Curated by ChEMBL


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


J Med Chem 35: 2-14 (1992)


Article DOI: 10.1021/jm00079a001
BindingDB Entry DOI: 10.7270/Q22J6CGV
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.


J Med Chem 35: 2-14 (1992)


Article DOI: 10.1021/jm00079a001
BindingDB Entry DOI: 10.7270/Q22J6CGV
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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Warner-Lambert Company

Curated by ChEMBL


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


J Med Chem 35: 2-14 (1992)


Article DOI: 10.1021/jm00079a001
BindingDB Entry DOI: 10.7270/Q22J6CGV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50042815
PNG
(CHEMBL332228 | N-[2-(2-Amino-thiazol-4-yl)-1-(1-cy...)
Show SMILES CC(C)CC(O)C(O)C(CC1CCCCC1)NC(=O)C(Cc1csc(N)n1)NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1/C33H52N6O7S2/c1-22(2)17-29(40)30(41)26(18-23-9-5-3-6-10-23)36-31(42)27(20-25-21-47-33(34)35-25)37-32(43)28(19-24-11-7-4-8-12-24)38-48(44,45)39-13-15-46-16-14-39/h4,7-8,11-12,21-23,26-30,38,40-41H,3,5-6,9-10,13-20H2,1-2H3,(H2,34,35)(H,36,42)(H,37,43)
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n/an/a 0.400n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against renin monkey plasma


J Med Chem 36: 3809-20 (1994)


Article DOI: 10.1021/jm00076a008
BindingDB Entry DOI: 10.7270/Q24T6HFF
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.


J Med Chem 35: 2-14 (1992)


Article DOI: 10.1021/jm00079a001
BindingDB Entry DOI: 10.7270/Q22J6CGV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50005422
PNG
(5-Cyclohexyl-2,2-difluoro-3-hydroxy-4-{2-[2-(morph...)
Show SMILES CCCOC(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](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
Inhibitory activity against monkey renin in vitro.


J Med Chem 35: 1032-42 (1992)


Article DOI: 10.1021/jm00084a008
BindingDB Entry DOI: 10.7270/Q2NG4PKR
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.


J Med Chem 35: 2-14 (1992)


Article DOI: 10.1021/jm00079a001
BindingDB Entry DOI: 10.7270/Q22J6CGV
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.


J Med Chem 35: 2-14 (1992)


Article DOI: 10.1021/jm00079a001
BindingDB Entry DOI: 10.7270/Q22J6CGV
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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Warner-Lambert Company

Curated by ChEMBL


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


J Med Chem 35: 2-14 (1992)


Article DOI: 10.1021/jm00079a001
BindingDB Entry DOI: 10.7270/Q22J6CGV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009873
PNG
(6-Acetylamino-2-[2-(morpholine-4-sulfonylamino)-3-...)
Show SMILES CC(=O)NCC#CCC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)NC(CC1CCCCC1)[C@@H](O)CC(=O)N1CCOC(CCN)C1
Show InChI InChI=1S/C38H59N7O9S/c1-28(46)40-17-9-8-14-32(41-38(50)34(25-30-12-6-3-7-13-30)43-55(51,52)45-19-21-53-22-20-45)37(49)42-33(24-29-10-4-2-5-11-29)35(47)26-36(48)44-18-23-54-31(27-44)15-16-39/h3,6-7,12-13,29,31-35,43,47H,2,4-5,10-11,14-27,39H2,1H3,(H,40,46)(H,41,50)(H,42,49)/t31?,32?,33?,34?,35-/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
Inhibitory activity against monkey plasma renin.


J Med Chem 34: 1258-71 (1991)


Article DOI: 10.1021/jm00108a004
BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50005423
PNG
(CHEMBL266139 | N-[(1-Cyclohexylmethyl-2,3-dihydrox...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)OCC#C
Show InChI InChI=1S/C32H50N4O8S/c1-4-17-44-32(31(40)33-26(21-24-11-7-5-8-12-24)29(38)28(37)20-23(2)3)34-30(39)27(22-25-13-9-6-10-14-25)35-45(41,42)36-15-18-43-19-16-36/h1,6,9-10,13-14,23-24,26-29,32,35,37-38H,5,7-8,11-12,15-22H2,2-3H3,(H,33,40)(H,34,39)/t26-,27-,28-,29+,32?/m0/s1
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n/an/a 0.520n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey renin in vitro.


J Med Chem 35: 1032-42 (1992)


Article DOI: 10.1021/jm00084a008
BindingDB Entry DOI: 10.7270/Q2NG4PKR
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.


J Med Chem 35: 2-14 (1992)


Article DOI: 10.1021/jm00079a001
BindingDB Entry DOI: 10.7270/Q22J6CGV
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.


J Med Chem 35: 2-14 (1992)


Article DOI: 10.1021/jm00079a001
BindingDB Entry DOI: 10.7270/Q22J6CGV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012249
PNG
(CHEMBL58256 | N-(1-Cyclohexylmethyl-2,3-dihydroxy-...)
Show SMILES CC(C)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)OC(C)C
Show InChI InChI=1S/C33H54N4O9S/c1-22(2)19-28(38)30(39)26(20-24-11-7-5-8-12-24)34-32(41)29(33(42)46-23(3)4)35-31(40)27(21-25-13-9-6-10-14-25)36-47(43,44)37-15-17-45-18-16-37/h6,9-10,13-14,22-24,26-30,36,38-39H,5,7-8,11-12,15-21H2,1-4H3,(H,34,41)(H,35,40)/t26-,27-,28+,29?,30+/m0/s1
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n/an/a 0.680n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of monkey plasma renin


J Med Chem 34: 1935-43 (1991)


Article DOI: 10.1021/jm00111a002
BindingDB Entry DOI: 10.7270/Q2NG4R73
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.


J Med Chem 35: 2-14 (1992)


Article DOI: 10.1021/jm00079a001
BindingDB Entry DOI: 10.7270/Q22J6CGV
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.


J Med Chem 35: 2-14 (1992)


Article DOI: 10.1021/jm00079a001
BindingDB Entry DOI: 10.7270/Q22J6CGV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006202
PNG
(3-Amino-N-[1-[1-(1-cyclohexylmethyl-2,3-dihydroxy-...)
Show SMILES COc1ccc(C[C@H](NC(=O)CC(C)(C)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1
Show InChI InChI=1S/C35H56N6O6/c1-22(2)15-30(42)32(44)27(16-23-9-7-6-8-10-23)40-34(46)29(18-25-20-37-21-38-25)41-33(45)28(39-31(43)19-35(3,4)36)17-24-11-13-26(47-5)14-12-24/h11-14,20-23,27-30,32,42,44H,6-10,15-19,36H2,1-5H3,(H,37,38)(H,39,43)(H,40,46)(H,41,45)/t27-,28-,29-,30-,32+/m0/s1
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n/an/a 0.75n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of monkey plasma renin


J Med Chem 34: 1935-43 (1991)


Article DOI: 10.1021/jm00111a002
BindingDB Entry DOI: 10.7270/Q2NG4R73
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012257
PNG
(CHEMBL299252 | N-[1-Cyclohexylmethyl-3,3-difluoro-...)
Show SMILES COC(=O)C(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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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of monkey plasma renin


J Med Chem 34: 1935-43 (1991)


Article DOI: 10.1021/jm00111a002
BindingDB Entry DOI: 10.7270/Q2NG4R73
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.


J Med Chem 35: 2-14 (1992)


Article DOI: 10.1021/jm00079a001
BindingDB Entry DOI: 10.7270/Q22J6CGV
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.


J Med Chem 35: 2-14 (1992)


Article DOI: 10.1021/jm00079a001
BindingDB Entry DOI: 10.7270/Q22J6CGV
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.


J Med Chem 35: 2-14 (1992)


Article DOI: 10.1021/jm00079a001
BindingDB Entry DOI: 10.7270/Q22J6CGV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM17941
PNG
((2S,4S,5S)-5-[(2S)-2-[(2S)-2-benzyl-3-[(2-methylpr...)
Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C
Show InChI InChI=1/C39H63N5O6S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(20-28-15-11-9-12-16-28)25-51(49,50)39(4,5)6/h9,11-12,15-16,24,26-27,29-30,32-35,45H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30-,32+,33+,34+,35+/s2
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n/an/a 0.830n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of monkey plasma renin


J Med Chem 34: 1935-43 (1991)


Article DOI: 10.1021/jm00111a002
BindingDB Entry DOI: 10.7270/Q2NG4R73
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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.


J Med Chem 35: 2-14 (1992)


Article DOI: 10.1021/jm00079a001
BindingDB Entry DOI: 10.7270/Q22J6CGV
More data for this
Ligand-Target Pair
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