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PubMed code 1552498

Compile data set for download or QSAR
Found 55 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))		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)


BindingDB Entry DOI: 10.7270/Q2NG4PKR
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)


BindingDB Entry DOI: 10.7270/Q2NG4PKR
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)


BindingDB Entry DOI: 10.7270/Q2NG4PKR
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)


BindingDB Entry DOI: 10.7270/Q2NG4PKR
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)


BindingDB Entry DOI: 10.7270/Q2NG4PKR
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)


BindingDB Entry DOI: 10.7270/Q2NG4PKR
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)


BindingDB Entry DOI: 10.7270/Q2NG4PKR
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)


BindingDB Entry DOI: 10.7270/Q2NG4PKR
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)


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


(Homo sapiens (Human))		BDBM50005439
PNG
((1-{[(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-he...)
Show SMILES CCSC(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C32H53N3O6S/c1-7-42-30(29(39)33-24(19-22-14-10-8-11-15-22)27(37)26(36)18-21(2)3)35-28(38)25(20-23-16-12-9-13-17-23)34-31(40)41-32(4,5)6/h9,12-13,16-17,21-22,24-27,30,36-37H,7-8,10-11,14-15,18-20H2,1-6H3,(H,33,39)(H,34,40)(H,35,38)/t24-,25-,26-,27+,30?/m0/s1
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n/an/a 1.40n/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)


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


(Homo sapiens (Human))		BDBM50005436
PNG
(4-{2-Allylsulfanyl-2-[2-(morpholine-4-sulfonylamin...)
Show SMILES O[C@@H](CC(=O)NCCN1CCOCC1)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)SCC=C
Show InChI InChI=1S/C35H56N6O8S2/c1-2-23-50-35(38-33(44)30(25-28-11-7-4-8-12-28)39-51(46,47)41-17-21-49-22-18-41)34(45)37-29(24-27-9-5-3-6-10-27)31(42)26-32(43)36-13-14-40-15-19-48-20-16-40/h2,4,7-8,11-12,27,29-31,35,39,42H,1,3,5-6,9-10,13-26H2,(H,36,43)(H,37,45)(H,38,44)/t29-,30-,31-,35?/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
Inhibitory activity against monkey renin in vitro.

J Med Chem 35: 1032-42 (1992)


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


(Homo sapiens (Human))		BDBM50005433
PNG
(5-Cyclohexyl-2,2-difluoro-4-{2-[2-(morpholine-4-su...)
Show SMILES CCCOC(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 2.10n/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)


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


(Homo sapiens (Human))		BDBM50005420
PNG
(5-Cyclohexyl-3-hydroxy-4-{3-(1H-imidazol-4-yl)-2-[...)
Show SMILES O[C@@H](CC(=O)NCCN1CCOCC1)[C@H](CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C36H56N8O8S/c45-33(24-34(46)38-11-12-43-13-17-51-18-14-43)30(21-27-7-3-1-4-8-27)40-35(47)31(23-29-25-37-26-39-29)41-36(48)32(22-28-9-5-2-6-10-28)42-53(49,50)44-15-19-52-20-16-44/h2,5-6,9-10,25-27,30-33,42,45H,1,3-4,7-8,11-24H2,(H,37,39)(H,38,46)(H,40,47)(H,41,48)/t30-,31?,32-,33-/m0/s1
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n/an/a 5n/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)


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


(Homo sapiens (Human))		BDBM50005418
PNG
(5-Cyclohexyl-4-{2-ethoxy-2-[2-(morpholine-4-sulfon...)
Show SMILES CCOC(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCN1CCOCC1
Show InChI InChI=1S/C34H56N6O9S/c1-2-49-34(37-32(43)29(24-27-11-7-4-8-12-27)38-50(45,46)40-17-21-48-22-18-40)33(44)36-28(23-26-9-5-3-6-10-26)30(41)25-31(42)35-13-14-39-15-19-47-20-16-39/h4,7-8,11-12,26,28-30,34,38,41H,2-3,5-6,9-10,13-25H2,1H3,(H,35,42)(H,36,44)(H,37,43)/t28-,29-,30-,34?/m0/s1
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n/an/a 5.30n/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)


BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)		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 10n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine cathepsin D

J Med Chem 35: 1032-42 (1992)


BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)		BDBM50005436
PNG
(4-{2-Allylsulfanyl-2-[2-(morpholine-4-sulfonylamin...)
Show SMILES O[C@@H](CC(=O)NCCN1CCOCC1)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)SCC=C
Show InChI InChI=1S/C35H56N6O8S2/c1-2-23-50-35(38-33(44)30(25-28-11-7-4-8-12-28)39-51(46,47)41-17-21-49-22-18-41)34(45)37-29(24-27-9-5-3-6-10-27)31(42)26-32(43)36-13-14-40-15-19-48-20-16-40/h2,4,7-8,11-12,27,29-31,35,39,42H,1,3,5-6,9-10,13-26H2,(H,36,43)(H,37,45)(H,38,44)/t29-,30-,31-,35?/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine cathepsin D

J Med Chem 35: 1032-42 (1992)


BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)		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 11n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine cathepsin D

J Med Chem 35: 1032-42 (1992)


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


(Homo sapiens (Human))		BDBM50005444
PNG
(CHEMBL406692 | 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)Sc1cccs1
Show InChI InChI=1S/C33H50N4O7S3/c1-23(2)20-28(38)30(39)26(21-24-10-5-3-6-11-24)34-32(41)33(46-29-14-9-19-45-29)35-31(40)27(22-25-12-7-4-8-13-25)36-47(42,43)37-15-17-44-18-16-37/h4,7-9,12-14,19,23-24,26-28,30,33,36,38-39H,3,5-6,10-11,15-18,20-22H2,1-2H3,(H,34,41)(H,35,40)/t26-,27-,28-,30+,33?/m0/s1
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n/an/a 13n/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)


BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)		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 14n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine cathepsin D

J Med Chem 35: 1032-42 (1992)


BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)		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 19n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine cathepsin D

J Med Chem 35: 1032-42 (1992)


BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)		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 21n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine cathepsin D

J Med Chem 35: 1032-42 (1992)


BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)		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 22n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine cathepsin D

J Med Chem 35: 1032-42 (1992)


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


(Homo sapiens (Human))		BDBM50005427
PNG
(4-[2-Ethoxy-2-(3-naphthalen-1-yl-2-naphthalen-1-yl...)
Show SMILES CCOC(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NC[C@@H](C)CC
Show InChI InChI=1S/C41H53N3O5/c1-6-28(5)26-42-38(46)25-37(45)36(22-27(3)4)43-40(48)41(49-7-2)44-39(47)33(23-31-18-12-16-29-14-8-10-20-34(29)31)24-32-19-13-17-30-15-9-11-21-35(30)32/h8-21,27-28,33,36-37,41,45H,6-7,22-26H2,1-5H3,(H,42,46)(H,43,48)(H,44,47)/t28-,36+,37+,41?/m0/s1
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n/an/a 26n/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)


BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)		BDBM50005439
PNG
((1-{[(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-he...)
Show SMILES CCSC(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C32H53N3O6S/c1-7-42-30(29(39)33-24(19-22-14-10-8-11-15-22)27(37)26(36)18-21(2)3)35-28(38)25(20-23-16-12-9-13-17-23)34-31(40)41-32(4,5)6/h9,12-13,16-17,21-22,24-27,30,36-37H,7-8,10-11,14-15,18-20H2,1-6H3,(H,33,39)(H,34,40)(H,35,38)/t24-,25-,26-,27+,30?/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine cathepsin D

J Med Chem 35: 1032-42 (1992)


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


(Homo sapiens (Human))		BDBM50005425
PNG
((1-{[(Allyl-methyl-amino)-(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)NC(=O)OC(C)(C)C)N(C)CC=C
Show InChI InChI=1S/C34H56N4O6/c1-8-19-38(7)30(32(42)35-26(21-24-15-11-9-12-16-24)29(40)28(39)20-23(2)3)37-31(41)27(22-25-17-13-10-14-18-25)36-33(43)44-34(4,5)6/h8,10,13-14,17-18,23-24,26-30,39-40H,1,9,11-12,15-16,19-22H2,2-7H3,(H,35,42)(H,36,43)(H,37,41)/t26-,27-,28-,29+,30?/m0/s1
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n/an/a 35n/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)


BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)		BDBM50005425
PNG
((1-{[(Allyl-methyl-amino)-(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)NC(=O)OC(C)(C)C)N(C)CC=C
Show InChI InChI=1S/C34H56N4O6/c1-8-19-38(7)30(32(42)35-26(21-24-15-11-9-12-16-24)29(40)28(39)20-23(2)3)37-31(41)27(22-25-17-13-10-14-18-25)36-33(43)44-34(4,5)6/h8,10,13-14,17-18,23-24,26-30,39-40H,1,9,11-12,15-16,19-22H2,2-7H3,(H,35,42)(H,36,43)(H,37,41)/t26-,27-,28-,29+,30?/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine cathepsin D

J Med Chem 35: 1032-42 (1992)


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


(Homo sapiens (Human))		BDBM50005430
PNG
(4-[2-Dimethylamino-2-(3-naphthalen-1-yl-2-naphthal...)
Show SMILES CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)N(C)C
Show InChI InChI=1S/C41H54N4O4/c1-7-28(4)26-42-38(47)25-37(46)36(22-27(2)3)43-41(49)39(45(5)6)44-40(48)33(23-31-18-12-16-29-14-8-10-20-34(29)31)24-32-19-13-17-30-15-9-11-21-35(30)32/h8-21,27-28,33,36-37,39,46H,7,22-26H2,1-6H3,(H,42,47)(H,43,49)(H,44,48)/t28-,36+,37+,39?/m0/s1
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n/an/a 74n/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)


BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)		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 80n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine cathepsin D

J Med Chem 35: 1032-42 (1992)


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


(Homo sapiens (Human))		BDBM50005416
PNG
(3-Hydroxy-4-[3-(1H-imidazol-4-yl)-2-(3-naphthalen-...)
Show SMILES CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C43H53N5O4/c1-5-29(4)25-45-41(50)24-40(49)38(20-28(2)3)47-43(52)39(23-35-26-44-27-46-35)48-42(51)34(21-32-16-10-14-30-12-6-8-18-36(30)32)22-33-17-11-15-31-13-7-9-19-37(31)33/h6-19,26-29,34,38-40,49H,5,20-25H2,1-4H3,(H,44,46)(H,45,50)(H,47,52)(H,48,51)/t29-,38+,39?,40+/m0/s1
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n/an/a 85n/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)


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


(Homo sapiens (Human))		BDBM50005438
PNG
(3-Hydroxy-4-[2-isopropylsulfanyl-2-(3-naphthalen-1...)
Show SMILES CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)SC(C)C
Show InChI InChI=1S/C42H55N3O4S/c1-7-29(6)26-43-39(47)25-38(46)37(22-27(2)3)44-41(49)42(50-28(4)5)45-40(48)34(23-32-18-12-16-30-14-8-10-20-35(30)32)24-33-19-13-17-31-15-9-11-21-36(31)33/h8-21,27-29,34,37-38,42,46H,7,22-26H2,1-6H3,(H,43,47)(H,44,49)(H,45,48)/t29-,37+,38+,42?/m0/s1
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n/an/a 95n/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)


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


(Homo sapiens (Human))		BDBM50005419
PNG
(3-Hydroxy-6-methyl-4-[2-methylsulfanyl-2-(3-naphth...)
Show SMILES CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)SC
Show InChI InChI=1S/C40H51N3O4S/c1-6-27(4)25-41-37(45)24-36(44)35(21-26(2)3)42-39(47)40(48-5)43-38(46)32(22-30-17-11-15-28-13-7-9-19-33(28)30)23-31-18-12-16-29-14-8-10-20-34(29)31/h7-20,26-27,32,35-36,40,44H,6,21-25H2,1-5H3,(H,41,45)(H,42,47)(H,43,46)/t27-,35+,36+,40?/m0/s1
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n/an/a 95n/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)


BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)		BDBM50005433
PNG
(5-Cyclohexyl-2,2-difluoro-4-{2-[2-(morpholine-4-su...)
Show SMILES CCCOC(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 131n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine cathepsin D

J Med Chem 35: 1032-42 (1992)


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


(Homo sapiens (Human))		BDBM50005434
PNG
(3-Hydroxy-4-[2-methoxy-2-(3-naphthalen-1-yl-2-naph...)
Show SMILES CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)OC
Show InChI InChI=1S/C40H51N3O5/c1-6-27(4)25-41-37(45)24-36(44)35(21-26(2)3)42-39(47)40(48-5)43-38(46)32(22-30-17-11-15-28-13-7-9-19-33(28)30)23-31-18-12-16-29-14-8-10-20-34(29)31/h7-20,26-27,32,35-36,40,44H,6,21-25H2,1-5H3,(H,41,45)(H,42,47)(H,43,46)/t27-,35+,36+,40?/m0/s1
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n/an/a 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)


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


(Homo sapiens (Human))		BDBM50005426
PNG
(4-[2-Ethylamino-2-(3-naphthalen-1-yl-2-naphthalen-...)
Show SMILES CCNC(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NC[C@@H](C)CC
Show InChI InChI=1S/C41H54N4O4/c1-6-28(5)26-43-38(47)25-37(46)36(22-27(3)4)44-41(49)39(42-7-2)45-40(48)33(23-31-18-12-16-29-14-8-10-20-34(29)31)24-32-19-13-17-30-15-9-11-21-35(30)32/h8-21,27-28,33,36-37,39,42,46H,6-7,22-26H2,1-5H3,(H,43,47)(H,44,49)(H,45,48)/t28-,36+,37+,39?/m0/s1
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n/an/a 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)


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


(Homo sapiens (Human))		BDBM50005441
PNG
(3-Hydroxy-6-methyl-4-[2-(3-naphthalen-1-yl-2-napht...)
Show SMILES CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)Nc1ccccc1
Show InChI InChI=1S/C45H54N4O4/c1-5-31(4)29-46-42(51)28-41(50)40(25-30(2)3)48-45(53)43(47-37-21-7-6-8-22-37)49-44(52)36(26-34-19-13-17-32-15-9-11-23-38(32)34)27-35-20-14-18-33-16-10-12-24-39(33)35/h6-24,30-31,36,40-41,43,47,50H,5,25-29H2,1-4H3,(H,46,51)(H,48,53)(H,49,52)/t31-,40+,41+,43?/m0/s1
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n/an/a 310n/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)


BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)		BDBM50005444
PNG
(CHEMBL406692 | 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)Sc1cccs1
Show InChI InChI=1S/C33H50N4O7S3/c1-23(2)20-28(38)30(39)26(21-24-10-5-3-6-11-24)34-32(41)33(46-29-14-9-19-45-29)35-31(40)27(22-25-12-7-4-8-13-25)36-47(42,43)37-15-17-44-18-16-37/h4,7-9,12-14,19,23-24,26-28,30,33,36,38-39H,3,5-6,10-11,15-18,20-22H2,1-2H3,(H,34,41)(H,35,40)/t26-,27-,28-,30+,33?/m0/s1
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n/an/a 470n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine cathepsin D

J Med Chem 35: 1032-42 (1992)


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


(Homo sapiens (Human))		BDBM50005424
PNG
(3-Hydroxy-4-[2-isopropylamino-2-(3-naphthalen-1-yl...)
Show SMILES CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(C)C)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C42H56N4O4/c1-7-29(6)26-43-39(48)25-38(47)37(22-27(2)3)45-42(50)40(44-28(4)5)46-41(49)34(23-32-18-12-16-30-14-8-10-20-35(30)32)24-33-19-13-17-31-15-9-11-21-36(31)33/h8-21,27-29,34,37-38,40,44,47H,7,22-26H2,1-6H3,(H,43,48)(H,45,50)(H,46,49)/t29-,37+,38+,40?/m0/s1
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n/an/a 500n/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)


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


(Homo sapiens (Human))		BDBM50005432
PNG
(CHEMBL3350031 | [{1-[1-Hydroxy-2-(2-methyl-butylca...)
Show SMILES CCOC(=O)NC(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NC[C@@H](C)CC
Show InChI InChI=1S/C42H54N4O6/c1-6-28(5)26-43-38(48)25-37(47)36(22-27(3)4)44-41(50)39(46-42(51)52-7-2)45-40(49)33(23-31-18-12-16-29-14-8-10-20-34(29)31)24-32-19-13-17-30-15-9-11-21-35(30)32/h8-21,27-28,33,36-37,39,47H,6-7,22-26H2,1-5H3,(H,43,48)(H,44,50)(H,45,49)(H,46,51)/t28-,36+,37+,39?/m0/s1
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n/an/a 516n/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)


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


(Homo sapiens (Human))		BDBM50230581
PNG
(CHEMBL3350033)
Show SMILES CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)[S+](C)[O-]
Show InChI InChI=1S/C40H51N3O5S/c1-6-27(4)25-41-37(45)24-36(44)35(21-26(2)3)42-39(47)40(49(5)48)43-38(46)32(22-30-17-11-15-28-13-7-9-19-33(28)30)23-31-18-12-16-29-14-8-10-20-34(29)31/h7-20,26-27,32,35-36,40,44H,6,21-25H2,1-5H3,(H,41,45)(H,42,47)(H,43,46)/t27-,35-,36-,40?,49?/m0/s1
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n/an/a 615n/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)


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


(Homo sapiens (Human))		BDBM50005440
PNG
(3-Hydroxy-6-methyl-4-[2-(3-naphthalen-1-yl-2-napht...)
Show SMILES CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)Oc1ccccc1
Show InChI InChI=1S/C45H53N3O5/c1-5-31(4)29-46-42(50)28-41(49)40(25-30(2)3)47-44(52)45(53-37-21-7-6-8-22-37)48-43(51)36(26-34-19-13-17-32-15-9-11-23-38(32)34)27-35-20-14-18-33-16-10-12-24-39(33)35/h6-24,30-31,36,40-41,45,49H,5,25-29H2,1-4H3,(H,46,50)(H,47,52)(H,48,51)/t31-,40+,41+,45?/m0/s1
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n/an/a 633n/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)


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


(Homo sapiens (Human))		BDBM50005421
PNG
(3-Hydroxy-6-methyl-4-[2-(3-naphthalen-1-yl-2-napht...)
Show SMILES CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)Sc1ccccc1
Show InChI InChI=1S/C45H53N3O4S/c1-5-31(4)29-46-42(50)28-41(49)40(25-30(2)3)47-44(52)45(53-37-21-7-6-8-22-37)48-43(51)36(26-34-19-13-17-32-15-9-11-23-38(32)34)27-35-20-14-18-33-16-10-12-24-39(33)35/h6-24,30-31,36,40-41,45,49H,5,25-29H2,1-4H3,(H,46,50)(H,47,52)(H,48,51)/t31-,40+,41+,45?/m0/s1
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n/an/a 656n/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)


BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)		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 699n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine cathepsin D

J Med Chem 35: 1032-42 (1992)


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


(Homo sapiens (Human))		BDBM50005447
PNG
(4-[2-Acetylamino-2-(3-naphthalen-1-yl-2-naphthalen...)
Show SMILES CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(C)=O)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C41H52N4O5/c1-6-27(4)25-42-38(48)24-37(47)36(21-26(2)3)44-41(50)39(43-28(5)46)45-40(49)33(22-31-17-11-15-29-13-7-9-19-34(29)31)23-32-18-12-16-30-14-8-10-20-35(30)32/h7-20,26-27,33,36-37,39,47H,6,21-25H2,1-5H3,(H,42,48)(H,43,46)(H,44,50)(H,45,49)/t27-,36+,37+,39?/m0/s1
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n/an/a 936n/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)


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


(Homo sapiens (Human))		BDBM50005435
PNG
(4-[2-Amino-2-(3-naphthalen-1-yl-2-naphthalen-1-ylm...)
Show SMILES CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(N)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C39H50N4O4/c1-5-26(4)24-41-36(45)23-35(44)34(20-25(2)3)42-39(47)37(40)43-38(46)31(21-29-16-10-14-27-12-6-8-18-32(27)29)22-30-17-11-15-28-13-7-9-19-33(28)30/h6-19,25-26,31,34-35,37,44H,5,20-24,40H2,1-4H3,(H,41,45)(H,42,47)(H,43,46)/t26-,34+,35+,37?/m0/s1
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n/an/a>1.00E+3n/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)


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


(Homo sapiens (Human))		BDBM50005435
PNG
(4-[2-Amino-2-(3-naphthalen-1-yl-2-naphthalen-1-ylm...)
Show SMILES CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(N)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C39H50N4O4/c1-5-26(4)24-41-36(45)23-35(44)34(20-25(2)3)42-39(47)37(40)43-38(46)31(21-29-16-10-14-27-12-6-8-18-32(27)29)22-30-17-11-15-28-13-7-9-19-33(28)30/h6-19,25-26,31,34-35,37,44H,5,20-24,40H2,1-4H3,(H,41,45)(H,42,47)(H,43,46)/t26-,34+,35+,37?/m0/s1
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n/an/a 1.00E+3n/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)


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


(Homo sapiens (Human))		BDBM50005446
PNG
(3-Hydroxy-4-[2-methanesulfonyl-2-(3-naphthalen-1-y...)
Show SMILES CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)S(C)(=O)=O
Show InChI InChI=1S/C40H51N3O6S/c1-6-27(4)25-41-37(45)24-36(44)35(21-26(2)3)42-39(47)40(50(5,48)49)43-38(46)32(22-30-17-11-15-28-13-7-9-19-33(28)30)23-31-18-12-16-29-14-8-10-20-34(29)31/h7-20,26-27,32,35-36,40,44H,6,21-25H2,1-5H3,(H,41,45)(H,42,47)(H,43,46)/t27-,35+,36+,40?/m0/s1
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n/an/a>1.00E+3n/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)


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


(Homo sapiens (Human))		BDBM50005424
PNG
(3-Hydroxy-4-[2-isopropylamino-2-(3-naphthalen-1-yl...)
Show SMILES CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(C)C)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C42H56N4O4/c1-7-29(6)26-43-39(48)25-38(47)37(22-27(2)3)45-42(50)40(44-28(4)5)46-41(49)34(23-32-18-12-16-30-14-8-10-20-35(30)32)24-33-19-13-17-31-15-9-11-21-36(31)33/h8-21,27-29,34,37-38,40,44,47H,7,22-26H2,1-6H3,(H,43,48)(H,45,50)(H,46,49)/t29-,37+,38+,40?/m0/s1
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n/an/a>1.00E+3n/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)


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


(Homo sapiens (Human))		BDBM50005427
PNG
(4-[2-Ethoxy-2-(3-naphthalen-1-yl-2-naphthalen-1-yl...)
Show SMILES CCOC(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NC[C@@H](C)CC
Show InChI InChI=1S/C41H53N3O5/c1-6-28(5)26-42-38(46)25-37(45)36(22-27(3)4)43-40(48)41(49-7-2)44-39(47)33(23-31-18-12-16-29-14-8-10-20-34(29)31)24-32-19-13-17-30-15-9-11-21-35(30)32/h8-21,27-28,33,36-37,41,45H,6-7,22-26H2,1-5H3,(H,42,46)(H,43,48)(H,44,47)/t28-,36+,37+,41?/m0/s1
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n/an/a>1.00E+3n/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)


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


(Homo sapiens (Human))		BDBM50005448
PNG
(3-Hydroxy-6-methyl-4-[2-(3-naphthalen-1-yl-2-napht...)
Show SMILES CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)S(=O)(=O)C(C)C
Show InChI InChI=1S/C42H55N3O6S/c1-7-29(6)26-43-39(47)25-38(46)37(22-27(2)3)44-41(49)42(52(50,51)28(4)5)45-40(48)34(23-32-18-12-16-30-14-8-10-20-35(30)32)24-33-19-13-17-31-15-9-11-21-36(31)33/h8-21,27-29,34,37-38,42,46H,7,22-26H2,1-6H3,(H,43,47)(H,44,49)(H,45,48)/t29-,37+,38+,42?/m0/s1
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n/an/a>1.00E+3n/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)


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


(Homo sapiens (Human))		BDBM50005426
PNG
(4-[2-Ethylamino-2-(3-naphthalen-1-yl-2-naphthalen-...)
Show SMILES CCNC(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NC[C@@H](C)CC
Show InChI InChI=1S/C41H54N4O4/c1-6-28(5)26-43-38(47)25-37(46)36(22-27(3)4)44-41(49)39(42-7-2)45-40(48)33(23-31-18-12-16-29-14-8-10-20-34(29)31)24-32-19-13-17-30-15-9-11-21-35(30)32/h8-21,27-28,33,36-37,39,42,46H,6-7,22-26H2,1-5H3,(H,43,47)(H,44,49)(H,45,48)/t28-,36+,37+,39?/m0/s1
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n/an/a>1.00E+3n/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)


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


(Homo sapiens (Human))		BDBM50005430
PNG
(4-[2-Dimethylamino-2-(3-naphthalen-1-yl-2-naphthal...)
Show SMILES CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)N(C)C
Show InChI InChI=1S/C41H54N4O4/c1-7-28(4)26-42-38(47)25-37(46)36(22-27(2)3)43-41(49)39(45(5)6)44-40(48)33(23-31-18-12-16-29-14-8-10-20-34(29)31)24-32-19-13-17-30-15-9-11-21-35(30)32/h8-21,27-28,33,36-37,39,46H,7,22-26H2,1-6H3,(H,42,47)(H,43,49)(H,44,48)/t28-,36+,37+,39?/m0/s1
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n/an/a>1.00E+3n/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)


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


(Homo sapiens (Human))		BDBM50005438
PNG
(3-Hydroxy-4-[2-isopropylsulfanyl-2-(3-naphthalen-1...)
Show SMILES CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)SC(C)C
Show InChI InChI=1S/C42H55N3O4S/c1-7-29(6)26-43-39(47)25-38(46)37(22-27(2)3)44-41(49)42(50-28(4)5)45-40(48)34(23-32-18-12-16-30-14-8-10-20-35(30)32)24-33-19-13-17-31-15-9-11-21-36(31)33/h8-21,27-29,34,37-38,42,46H,7,22-26H2,1-6H3,(H,43,47)(H,44,49)(H,45,48)/t29-,37+,38+,42?/m0/s1
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n/an/a>1.00E+3n/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)


BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)		BDBM50005420
PNG
(5-Cyclohexyl-3-hydroxy-4-{3-(1H-imidazol-4-yl)-2-[...)
Show SMILES O[C@@H](CC(=O)NCCN1CCOCC1)[C@H](CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C36H56N8O8S/c45-33(24-34(46)38-11-12-43-13-17-51-18-14-43)30(21-27-7-3-1-4-8-27)40-35(47)31(23-29-25-37-26-39-29)41-36(48)32(22-28-9-5-2-6-10-28)42-53(49,50)44-15-19-52-20-16-44/h2,5-6,9-10,25-27,30-33,42,45H,1,3-4,7-8,11-24H2,(H,37,39)(H,38,46)(H,40,47)(H,41,48)/t30-,31?,32-,33-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine cathepsin D

J Med Chem 35: 1032-42 (1992)


BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)		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>1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine cathepsin D

J Med Chem 35: 1032-42 (1992)


BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)		BDBM50005418
PNG
(5-Cyclohexyl-4-{2-ethoxy-2-[2-(morpholine-4-sulfon...)
Show SMILES CCOC(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCN1CCOCC1
Show InChI InChI=1S/C34H56N6O9S/c1-2-49-34(37-32(43)29(24-27-11-7-4-8-12-27)38-50(45,46)40-17-21-48-22-18-40)33(44)36-28(23-26-9-5-3-6-10-26)30(41)25-31(42)35-13-14-39-15-19-47-20-16-39/h4,7-8,11-12,26,28-30,34,38,41H,2-3,5-6,9-10,13-25H2,1H3,(H,35,42)(H,36,44)(H,37,43)/t28-,29-,30-,34?/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine cathepsin D

J Med Chem 35: 1032-42 (1992)


BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%