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PubMed code 8474101

Compile data set for download or QSAR
Found 30 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))
BDBM50011228
PNG
((R)-2-Benzyl-N-[(S)-1-[(1S,2R)-1-cyclohexylmethyl-...)
Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1
Show InChI InChI=1S/C35H50N6O7/c1-2-40-22-30(48-35(40)46)32(43)28(18-25-11-7-4-8-12-25)38-34(45)29(20-27-21-36-23-37-27)39-33(44)26(17-24-9-5-3-6-10-24)19-31(42)41-13-15-47-16-14-41/h3,5-6,9-10,21,23,25-26,28-30,32,43H,2,4,7-8,11-20,22H2,1H3,(H,36,37)(H,38,45)(H,39,44)/t26-,28+,29+,30+,32-/m1/s1
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n/an/a 1.30n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 7.4


J Med Chem 36: 449-59 (1993)


Article DOI: 10.1021/jm00056a005
BindingDB Entry DOI: 10.7270/Q20K27M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022647
PNG
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1
Show InChI InChI=1S/C35H53N5O6/c1-24(2)17-31(41)33(43)29(19-26-11-7-4-8-12-26)38-35(45)30(21-28-22-36-23-37-28)39-34(44)27(18-25-9-5-3-6-10-25)20-32(42)40-13-15-46-16-14-40/h3,5-6,9-10,22-24,26-27,29-31,33,41,43H,4,7-8,11-21H2,1-2H3,(H,36,37)(H,38,45)(H,39,44)/t27-,29+,30+,31+,33-/m1/s1
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n/an/a 1.60n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 7.4


J Med Chem 36: 449-59 (1993)


Article DOI: 10.1021/jm00056a005
BindingDB Entry DOI: 10.7270/Q20K27M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50046785
PNG
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccn[nH]1)NC(=O)[C@@H](CC(=O)N1CCN(C)CC1)Cc1ccccc1
Show InChI InChI=1S/C36H56N6O5/c1-25(2)20-32(43)34(45)30(22-27-12-8-5-9-13-27)38-36(47)31(24-29-14-15-37-40-29)39-35(46)28(21-26-10-6-4-7-11-26)23-33(44)42-18-16-41(3)17-19-42/h4,6-7,10-11,14-15,25,27-28,30-32,34,43,45H,5,8-9,12-13,16-24H2,1-3H3,(H,37,40)(H,38,47)(H,39,46)/t28-,30+,31+,32+,34-/m1/s1
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n/an/a 2.80n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 7.4


J Med Chem 36: 449-59 (1993)


Article DOI: 10.1021/jm00056a005
BindingDB Entry DOI: 10.7270/Q20K27M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50046781
PNG
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccn[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1
Show InChI InChI=1S/C35H53N5O6/c1-24(2)19-31(41)33(43)29(21-26-11-7-4-8-12-26)37-35(45)30(23-28-13-14-36-39-28)38-34(44)27(20-25-9-5-3-6-10-25)22-32(42)40-15-17-46-18-16-40/h3,5-6,9-10,13-14,24,26-27,29-31,33,41,43H,4,7-8,11-12,15-23H2,1-2H3,(H,36,39)(H,37,45)(H,38,44)/t27-,29+,30+,31+,33-/m1/s1
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n/an/a 3.5n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 7.4


J Med Chem 36: 449-59 (1993)


Article DOI: 10.1021/jm00056a005
BindingDB Entry DOI: 10.7270/Q20K27M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50046786
PNG
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCN(C)CC1)Cc1ccccc1
Show InChI InChI=1S/C36H56N6O5/c1-25(2)18-32(43)34(45)30(20-27-12-8-5-9-13-27)39-36(47)31(22-29-23-37-24-38-29)40-35(46)28(19-26-10-6-4-7-11-26)21-33(44)42-16-14-41(3)15-17-42/h4,6-7,10-11,23-25,27-28,30-32,34,43,45H,5,8-9,12-22H2,1-3H3,(H,37,38)(H,39,47)(H,40,46)/t28-,30+,31+,32+,34-/m1/s1
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n/an/a 5.40n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 7.4


J Med Chem 36: 449-59 (1993)


Article DOI: 10.1021/jm00056a005
BindingDB Entry DOI: 10.7270/Q20K27M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50011231
PNG
(2-Benzyl-N-{1-[1-cyclohexylmethyl-2-(3-ethyl-2-oxo...)
Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1
Show InChI InChI=1S/C35H49N5O7S/c1-2-39-21-30(47-35(39)45)32(42)28(18-25-11-7-4-8-12-25)37-34(44)29(20-27-22-48-23-36-27)38-33(43)26(17-24-9-5-3-6-10-24)19-31(41)40-13-15-46-16-14-40/h3,5-6,9-10,22-23,25-26,28-30,32,42H,2,4,7-8,11-21H2,1H3,(H,37,44)(H,38,43)/t26-,28+,29+,30+,32-/m1/s1
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n/an/a 8.10n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 7.4


J Med Chem 36: 449-59 (1993)


Article DOI: 10.1021/jm00056a005
BindingDB Entry DOI: 10.7270/Q20K27M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006122
PNG
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1
Show InChI InChI=1S/C35H52N4O6S/c1-24(2)17-31(40)33(42)29(19-26-11-7-4-8-12-26)37-35(44)30(21-28-22-46-23-36-28)38-34(43)27(18-25-9-5-3-6-10-25)20-32(41)39-13-15-45-16-14-39/h3,5-6,9-10,22-24,26-27,29-31,33,40,42H,4,7-8,11-21H2,1-2H3,(H,37,44)(H,38,43)/t27-,29+,30+,31+,33-/m1/s1
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n/an/a 8.30n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 7.4


J Med Chem 36: 449-59 (1993)


Article DOI: 10.1021/jm00056a005
BindingDB Entry DOI: 10.7270/Q20K27M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50046782
PNG
(CHEMBL341744 | N-[2-Azido-1-(1-cyclohexylmethyl-2,...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CN=[N+]=[N-])NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1
Show InChI InChI=1S/C32H50N6O6/c1-22(2)17-28(39)30(41)26(19-24-11-7-4-8-12-24)35-32(43)27(21-34-37-33)36-31(42)25(18-23-9-5-3-6-10-23)20-29(40)38-13-15-44-16-14-38/h3,5-6,9-10,22,24-28,30,39,41H,4,7-8,11-21H2,1-2H3,(H,35,43)(H,36,42)/t25-,26+,27+,28+,30-/m1/s1
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n/an/a 11n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 7.4


J Med Chem 36: 449-59 (1993)


Article DOI: 10.1021/jm00056a005
BindingDB Entry DOI: 10.7270/Q20K27M6
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 14n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 7.4


J Med Chem 36: 449-59 (1993)


Article DOI: 10.1021/jm00056a005
BindingDB Entry DOI: 10.7270/Q20K27M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50046773
PNG
(3-Amino-N-[1-[1-[1-cyclohexylmethyl-2-(3-ethyl-2-o...)
Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC(C)(C)N
Show InChI InChI=1S/C35H53N7O7/c1-5-42-20-29(49-34(42)47)31(44)26(15-22-9-7-6-8-10-22)40-33(46)28(17-24-19-37-21-38-24)41-32(45)27(39-30(43)18-35(2,3)36)16-23-11-13-25(48-4)14-12-23/h11-14,19,21-22,26-29,31,44H,5-10,15-18,20,36H2,1-4H3,(H,37,38)(H,39,43)(H,40,46)(H,41,45)/t26-,27-,28-,29-,31+/m0/s1
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n/an/a 17n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 7.4


J Med Chem 36: 449-59 (1993)


Article DOI: 10.1021/jm00056a005
BindingDB Entry DOI: 10.7270/Q20K27M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50046776
PNG
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N1CCN(C)CC1)Cc1ccccc1
Show InChI InChI=1S/C36H55N5O5S/c1-25(2)18-32(42)34(44)30(20-27-12-8-5-9-13-27)38-36(46)31(22-29-23-47-24-37-29)39-35(45)28(19-26-10-6-4-7-11-26)21-33(43)41-16-14-40(3)15-17-41/h4,6-7,10-11,23-25,27-28,30-32,34,42,44H,5,8-9,12-22H2,1-3H3,(H,38,46)(H,39,45)/t28-,30+,31+,32+,34-/m1/s1
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n/an/a 18n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 7.4


J Med Chem 36: 449-59 (1993)


Article DOI: 10.1021/jm00056a005
BindingDB Entry DOI: 10.7270/Q20K27M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50046774
PNG
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cn1cccn1)NC(=O)[C@@H](CC(=O)N1CCN(C)CC1)Cc1ccccc1
Show InChI InChI=1S/C36H56N6O5/c1-26(2)21-32(43)34(45)30(23-28-13-8-5-9-14-28)38-36(47)31(25-42-16-10-15-37-42)39-35(46)29(22-27-11-6-4-7-12-27)24-33(44)41-19-17-40(3)18-20-41/h4,6-7,10-12,15-16,26,28-32,34,43,45H,5,8-9,13-14,17-25H2,1-3H3,(H,38,47)(H,39,46)/t29-,30+,31+,32+,34-/m1/s1
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n/an/a 18n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 7.4


J Med Chem 36: 449-59 (1993)


Article DOI: 10.1021/jm00056a005
BindingDB Entry DOI: 10.7270/Q20K27M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50011229
PNG
(2-Benzyl-N-[1-[1-cyclohexylmethyl-2-(3-ethyl-2-oxo...)
Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccn[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1
Show InChI InChI=1S/C35H50N6O7/c1-2-40-23-30(48-35(40)46)32(43)28(20-25-11-7-4-8-12-25)37-34(45)29(22-27-13-14-36-39-27)38-33(44)26(19-24-9-5-3-6-10-24)21-31(42)41-15-17-47-18-16-41/h3,5-6,9-10,13-14,25-26,28-30,32,43H,2,4,7-8,11-12,15-23H2,1H3,(H,36,39)(H,37,45)(H,38,44)/t26-,28+,29+,30+,32-/m1/s1
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n/an/a 21n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 7.4


J Med Chem 36: 449-59 (1993)


Article DOI: 10.1021/jm00056a005
BindingDB Entry DOI: 10.7270/Q20K27M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50046778
PNG
(2-Benzyl-5-morpholin-4-yl-4-oxo-pentanoic acid [1-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)CN1CCOCC1)Cc1ccccc1
Show InChI InChI=1S/C36H54N4O6S/c1-25(2)17-33(42)34(43)31(19-27-11-7-4-8-12-27)38-36(45)32(21-29-23-47-24-37-29)39-35(44)28(18-26-9-5-3-6-10-26)20-30(41)22-40-13-15-46-16-14-40/h3,5-6,9-10,23-25,27-28,31-34,42-43H,4,7-8,11-22H2,1-2H3,(H,38,45)(H,39,44)/t28-,31+,32+,33+,34-/m1/s1
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n/an/a 25n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 7.4


J Med Chem 36: 449-59 (1993)


Article DOI: 10.1021/jm00056a005
BindingDB Entry DOI: 10.7270/Q20K27M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50046770
PNG
(2-[2-Benzyl-4-(4-methyl-piperazin-1-yl)-4-oxo-buty...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](CC(=O)N1CCN(C)CC1)Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C36H60N4O5/c1-5-6-17-30(36(45)38-31(24-28-15-11-8-12-16-28)34(43)32(41)22-26(2)3)37-35(44)29(23-27-13-9-7-10-14-27)25-33(42)40-20-18-39(4)19-21-40/h7,9-10,13-14,26,28-32,34,41,43H,5-6,8,11-12,15-25H2,1-4H3,(H,37,44)(H,38,45)/t29-,30+,31+,32+,34-/m1/s1
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n/an/a 25n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 7.4


J Med Chem 36: 449-59 (1993)


Article DOI: 10.1021/jm00056a005
BindingDB Entry DOI: 10.7270/Q20K27M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50046779
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](Cc2cscn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1
Show InChI InChI=1S/C35H55N5O6S/c1-22(2)15-30(41)32(43)27(16-23-9-7-6-8-10-23)39-34(45)29(18-25-20-47-21-37-25)40-33(44)28(38-31(42)19-35(3,4)36)17-24-11-13-26(46-5)14-12-24/h11-14,20-23,27-30,32,41,43H,6-10,15-19,36H2,1-5H3,(H,38,42)(H,39,45)(H,40,44)/t27-,28-,29-,30-,32+/m0/s1
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n/an/a 33n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 7.4


J Med Chem 36: 449-59 (1993)


Article DOI: 10.1021/jm00056a005
BindingDB Entry DOI: 10.7270/Q20K27M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50046783
PNG
(2-[2-Benzyl-4-(4-methyl-piperazin-1-yl)-4-oxo-buty...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)N1CCN(C)CC1)Cc1ccccc1
Show InChI InChI=1S/C36H60N4O5/c1-25(2)20-31(36(45)37-30(23-28-14-10-7-11-15-28)34(43)32(41)21-26(3)4)38-35(44)29(22-27-12-8-6-9-13-27)24-33(42)40-18-16-39(5)17-19-40/h6,8-9,12-13,25-26,28-32,34,41,43H,7,10-11,14-24H2,1-5H3,(H,37,45)(H,38,44)/t29-,30+,31+,32+,34-/m1/s1
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n/an/a 37n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 7.4


J Med Chem 36: 449-59 (1993)


Article DOI: 10.1021/jm00056a005
BindingDB Entry DOI: 10.7270/Q20K27M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50046784
PNG
(3-Amino-N-[1-{1-[1-cyclohexylmethyl-2-(3-ethyl-2-o...)
Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC(C)(C)N
Show InChI InChI=1S/C35H52N6O7S/c1-5-41-19-29(48-34(41)46)31(43)26(15-22-9-7-6-8-10-22)39-33(45)28(17-24-20-49-21-37-24)40-32(44)27(38-30(42)18-35(2,3)36)16-23-11-13-25(47-4)14-12-23/h11-14,20-22,26-29,31,43H,5-10,15-19,36H2,1-4H3,(H,38,42)(H,39,45)(H,40,44)/t26-,27-,28-,29-,31+/m0/s1
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n/an/a 39n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 7.4


J Med Chem 36: 449-59 (1993)


Article DOI: 10.1021/jm00056a005
BindingDB Entry DOI: 10.7270/Q20K27M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50011227
PNG
(2-Benzyl-N-{1-[1-cyclohexylmethyl-2-(3-ethyl-2-oxo...)
Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1
Show InChI InChI=1S/C36H50N4O7S/c1-2-39-24-31(47-36(39)45)33(42)29(21-26-12-7-4-8-13-26)37-35(44)30(23-28-14-9-19-48-28)38-34(43)27(20-25-10-5-3-6-11-25)22-32(41)40-15-17-46-18-16-40/h3,5-6,9-11,14,19,26-27,29-31,33,42H,2,4,7-8,12-13,15-18,20-24H2,1H3,(H,37,44)(H,38,43)/t27-,29+,30+,31+,33-/m1/s1
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n/an/a 43n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 7.4


J Med Chem 36: 449-59 (1993)


Article DOI: 10.1021/jm00056a005
BindingDB Entry DOI: 10.7270/Q20K27M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50011230
PNG
(2-Benzyl-N-[1-[1-cyclohexylmethyl-2-(3-ethyl-2-oxo...)
Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cn(C)cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1
Show InChI InChI=1S/C36H52N6O7/c1-3-41-23-31(49-36(41)47)33(44)29(19-26-12-8-5-9-13-26)38-35(46)30(21-28-22-40(2)24-37-28)39-34(45)27(18-25-10-6-4-7-11-25)20-32(43)42-14-16-48-17-15-42/h4,6-7,10-11,22,24,26-27,29-31,33,44H,3,5,8-9,12-21,23H2,1-2H3,(H,38,46)(H,39,45)/t27-,29+,30+,31+,33-/m1/s1
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n/an/a 58n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 7.4


J Med Chem 36: 449-59 (1993)


Article DOI: 10.1021/jm00056a005
BindingDB Entry DOI: 10.7270/Q20K27M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50046771
PNG
(3-Amino-N-[1-{1-[1-cyclohexylmethyl-2-(3-ethyl-2-o...)
Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC(C)(C)N
Show InChI InChI=1S/C36H53N5O7S/c1-5-41-22-30(48-35(41)46)32(43)27(18-23-10-7-6-8-11-23)39-34(45)29(20-26-12-9-17-49-26)40-33(44)28(38-31(42)21-36(2,3)37)19-24-13-15-25(47-4)16-14-24/h9,12-17,23,27-30,32,43H,5-8,10-11,18-22,37H2,1-4H3,(H,38,42)(H,39,45)(H,40,44)/t27-,28-,29-,30-,32+/m0/s1
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n/an/a 69n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 7.4


J Med Chem 36: 449-59 (1993)


Article DOI: 10.1021/jm00056a005
BindingDB Entry DOI: 10.7270/Q20K27M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50046780
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](Cc2cccs2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1
Show InChI InChI=1S/C36H56N4O6S/c1-23(2)18-31(41)33(43)28(19-24-10-7-6-8-11-24)39-35(45)30(21-27-12-9-17-47-27)40-34(44)29(38-32(42)22-36(3,4)37)20-25-13-15-26(46-5)16-14-25/h9,12-17,23-24,28-31,33,41,43H,6-8,10-11,18-22,37H2,1-5H3,(H,38,42)(H,39,45)(H,40,44)/t28-,29-,30-,31-,33+/m0/s1
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n/an/a 85n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 7.4


J Med Chem 36: 449-59 (1993)


Article DOI: 10.1021/jm00056a005
BindingDB Entry DOI: 10.7270/Q20K27M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50046790
PNG
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...)
Show SMILES CON(C)C[C@H](NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C34H56N4O7/c1-24(2)19-30(39)32(41)28(21-26-13-9-6-10-14-26)35-34(43)29(23-37(3)44-4)36-33(42)27(20-25-11-7-5-8-12-25)22-31(40)38-15-17-45-18-16-38/h5,7-8,11-12,24,26-30,32,39,41H,6,9-10,13-23H2,1-4H3,(H,35,43)(H,36,42)/t27-,28+,29+,30+,32-/m1/s1
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n/an/a 88n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 7.4


J Med Chem 36: 449-59 (1993)


Article DOI: 10.1021/jm00056a005
BindingDB Entry DOI: 10.7270/Q20K27M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50046788
PNG
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cn1ccnc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1
Show InChI InChI=1S/C35H53N5O6/c1-25(2)19-31(41)33(43)29(21-27-11-7-4-8-12-27)37-35(45)30(23-39-14-13-36-24-39)38-34(44)28(20-26-9-5-3-6-10-26)22-32(42)40-15-17-46-18-16-40/h3,5-6,9-10,13-14,24-25,27-31,33,41,43H,4,7-8,11-12,15-23H2,1-2H3,(H,37,45)(H,38,44)/t28-,29+,30+,31+,33-/m1/s1
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n/an/a 93n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 7.4


J Med Chem 36: 449-59 (1993)


Article DOI: 10.1021/jm00056a005
BindingDB Entry DOI: 10.7270/Q20K27M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50046789
PNG
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](CC(=O)N1CCN(C)CC1)Cc1ccccc1
Show InChI InChI=1S/C37H56N4O5S/c1-26(2)21-33(42)35(44)31(23-28-13-8-5-9-14-28)38-37(46)32(25-30-15-10-20-47-30)39-36(45)29(22-27-11-6-4-7-12-27)24-34(43)41-18-16-40(3)17-19-41/h4,6-7,10-12,15,20,26,28-29,31-33,35,42,44H,5,8-9,13-14,16-19,21-25H2,1-3H3,(H,38,46)(H,39,45)/t29-,31+,32+,33+,35-/m1/s1
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n/an/a 110n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 7.4


J Med Chem 36: 449-59 (1993)


Article DOI: 10.1021/jm00056a005
BindingDB Entry DOI: 10.7270/Q20K27M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50046777
PNG
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cn(C)cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1
Show InChI InChI=1S/C36H55N5O6/c1-25(2)18-32(42)34(44)30(20-27-12-8-5-9-13-27)38-36(46)31(22-29-23-40(3)24-37-29)39-35(45)28(19-26-10-6-4-7-11-26)21-33(43)41-14-16-47-17-15-41/h4,6-7,10-11,23-25,27-28,30-32,34,42,44H,5,8-9,12-22H2,1-3H3,(H,38,46)(H,39,45)/t28-,30+,31+,32+,34-/m1/s1
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n/an/a 110n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 7.4


J Med Chem 36: 449-59 (1993)


Article DOI: 10.1021/jm00056a005
BindingDB Entry DOI: 10.7270/Q20K27M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50046787
PNG
(4-Methyl-piperazine-1-carboxylic acid [1-[1-(1-cyc...)
Show SMILES COc1ccc(C[C@H](NC(=O)N2CCN(C)CC2)C(=O)N[C@@H](Cc2cscn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1
Show InChI InChI=1S/C36H56N6O6S/c1-24(2)18-32(43)33(44)29(19-25-8-6-5-7-9-25)38-35(46)31(21-27-22-49-23-37-27)39-34(45)30(20-26-10-12-28(48-4)13-11-26)40-36(47)42-16-14-41(3)15-17-42/h10-13,22-25,29-33,43-44H,5-9,14-21H2,1-4H3,(H,38,46)(H,39,45)(H,40,47)/t29-,30-,31-,32-,33+/m0/s1
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n/an/a 120n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 7.4


J Med Chem 36: 449-59 (1993)


Article DOI: 10.1021/jm00056a005
BindingDB Entry DOI: 10.7270/Q20K27M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50046775
PNG
(1-Methyl-piperidine-4-carboxylic acid [1-[1-(1-cyc...)
Show SMILES COc1ccc(C[C@H](NC(=O)C2CCN(C)CC2)C(=O)N[C@@H](Cc2cscn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1
Show InChI InChI=1S/C37H57N5O6S/c1-24(2)18-33(43)34(44)30(19-25-8-6-5-7-9-25)39-37(47)32(21-28-22-49-23-38-28)41-36(46)31(20-26-10-12-29(48-4)13-11-26)40-35(45)27-14-16-42(3)17-15-27/h10-13,22-25,27,30-34,43-44H,5-9,14-21H2,1-4H3,(H,39,47)(H,40,45)(H,41,46)/t30-,31-,32-,33-,34+/m0/s1
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n/an/a 170n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 7.4


J Med Chem 36: 449-59 (1993)


Article DOI: 10.1021/jm00056a005
BindingDB Entry DOI: 10.7270/Q20K27M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50046772
PNG
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CN(C)C)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1
Show InChI InChI=1S/C34H56N4O6/c1-24(2)19-30(39)32(41)28(21-26-13-9-6-10-14-26)35-34(43)29(23-37(3)4)36-33(42)27(20-25-11-7-5-8-12-25)22-31(40)38-15-17-44-18-16-38/h5,7-8,11-12,24,26-30,32,39,41H,6,9-10,13-23H2,1-4H3,(H,35,43)(H,36,42)/t27-,28+,29+,30+,32-/m1/s1
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n/an/a 210n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 7.4


J Med Chem 36: 449-59 (1993)


Article DOI: 10.1021/jm00056a005
BindingDB Entry DOI: 10.7270/Q20K27M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50046791
PNG
(CHEMBL346615 | N-[1-(1-Cyclohexylmethyl-2,3-dihydr...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccccc1)N1CCOCC1
Show InChI InChI=1S/C33H50N4O5S/c1-23(2)17-30(38)31(39)27(18-24-9-5-3-6-10-24)35-32(40)28(20-26-21-43-22-34-26)36-33(41)29(37-13-15-42-16-14-37)19-25-11-7-4-8-12-25/h4,7-8,11-12,21-24,27-31,38-39H,3,5-6,9-10,13-20H2,1-2H3,(H,35,40)(H,36,41)/t27-,28-,29-,30-,31+/m0/s1
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n/an/a 1.60E+3n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 7.4


J Med Chem 36: 449-59 (1993)


Article DOI: 10.1021/jm00056a005
BindingDB Entry DOI: 10.7270/Q20K27M6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%