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12 similar compounds to monomer 50006852

Compile data set for download or QSAR
Wt: 708.9
BDBM50006844
Wt: 738.9
BDBM50006845
Wt: 708.9
BDBM50006847
Wt: 707.9
BDBM50006848
Wt: 693.9
BDBM50006850
Wt: 694.9
BDBM50006854
Wt: 811.0
BDBM50006857
Wt: 793.0
BDBM50006861
Wt: 709.9
BDBM50006862
Wt: 708.9
BDBM50042815
Wt: 771.0
BDBM50042816
Wt: 708.9
BDBM50042818

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 50006844,50006845,50006847,50006848,50006850,50006854,50006857,50006861,50006862,50042815,50042816,50042818   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Pepsinogen A5


(Homo sapiens (Human))
BDBM50006844
PNG
((S)-N-[(S)-2-(2-Amino-thiazol-4-yl)-1-((1S,2R,3S)-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/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)/t26-,27-,28-,29-,30+/m0/s1
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n/an/a 2.02E+5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against pepsin.


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006844
PNG
((S)-N-[(S)-2-(2-Amino-thiazol-4-yl)-1-((1S,2R,3S)-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/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)/t26-,27-,28-,29-,30+/m0/s1
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n/an/a 0.370n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of plasma renin activity in monkey


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
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=1S/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))
BDBM50042816
PNG
(CHEMBL127856 | N-[2-(2-Amino-thiazol-4-yl)-1-(1-cy...)
Show SMILES Nc1nc(CC(NC(=O)C(Cc2ccccc2)NS(=O)(=O)N2CCOCC2)C(=O)NC(CC2CCCCC2)C(O)CC(CO)Cc2ccccc2)cs1
Show InChI InChI=1S/C38H54N6O7S2/c39-38-40-31(26-52-38)24-33(42-37(48)34(22-29-14-8-3-9-15-29)43-53(49,50)44-16-18-51-19-17-44)36(47)41-32(21-28-12-6-2-7-13-28)35(46)23-30(25-45)20-27-10-4-1-5-11-27/h1,3-5,8-11,14-15,26,28,30,32-35,43,45-46H,2,6-7,12-13,16-25H2,(H2,39,40)(H,41,47)(H,42,48)
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n/an/a 7.70n/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))
BDBM50042818
PNG
(CHEMBL341531 | N-[2-(2-Amino-thiazol-4-yl)-1-(1-cy...)
Show SMILES CCC(CO)CC(O)C(CC1CCCCC1)NC(=O)C(Cc1csc(N)n1)NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C33H52N6O7S2/c1-2-23(21-40)19-30(41)27(17-24-9-5-3-6-10-24)36-31(42)28(20-26-22-47-33(34)35-26)37-32(43)29(18-25-11-7-4-8-12-25)38-48(44,45)39-13-15-46-16-14-39/h4,7-8,11-12,22-24,27-30,38,40-41H,2-3,5-6,9-10,13-21H2,1H3,(H2,34,35)(H,36,42)(H,37,43)
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n/an/a 1.70n/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))
BDBM50006844
PNG
((S)-N-[(S)-2-(2-Amino-thiazol-4-yl)-1-((1S,2R,3S)-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/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)/t26-,27-,28-,29-,30+/m0/s1
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n/an/a 0.360n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against monkey plasma renin


Bioorg Med Chem Lett 4: 2029-2034 (1994)


Article DOI: 10.1016/S0960-894X(01)80557-6
BindingDB Entry DOI: 10.7270/Q2RB74JC
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50006844
PNG
((S)-N-[(S)-2-(2-Amino-thiazol-4-yl)-1-((1S,2R,3S)-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/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)/t26-,27-,28-,29-,30+/m0/s1
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n/an/a 0.320n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against renin was determined


Bioorg Med Chem Lett 3: 813-818 (1993)


Article DOI: 10.1016/S0960-894X(00)80672-1
BindingDB Entry DOI: 10.7270/Q261107B
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006845
PNG
(CHEMBL316208 | N-[2-(2-Amino-thiazol-4-yl)-1-(1-cy...)
Show SMILES COc1ccc(C[C@H](NS(=O)(=O)N2CCOCC2)C(=O)N[C@@H](Cc2csc(N)n2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1
Show InChI InChI=1S/C34H54N6O8S2/c1-22(2)17-30(41)31(42)27(18-23-7-5-4-6-8-23)37-32(43)28(20-25-21-49-34(35)36-25)38-33(44)29(19-24-9-11-26(47-3)12-10-24)39-50(45,46)40-13-15-48-16-14-40/h9-12,21-23,27-31,39,41-42H,4-8,13-20H2,1-3H3,(H2,35,36)(H,37,43)(H,38,44)/t27-,28-,29-,30-,31+/m0/s1
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n/an/a 0.350n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of monkey renin.


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50006848
PNG
(CHEMBL88091 | N-[2-(2-Amino-thiazol-4-yl)-1-(1-cyc...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCNCC1
Show InChI InChI=1S/C33H53N7O6S2/c1-22(2)17-29(41)30(42)26(18-23-9-5-3-6-10-23)37-31(43)27(20-25-21-47-33(34)36-25)38-32(44)28(19-24-11-7-4-8-12-24)39-48(45,46)40-15-13-35-14-16-40/h4,7-8,11-12,21-23,26-30,35,39,41-42H,3,5-6,9-10,13-20H2,1-2H3,(H2,34,36)(H,37,43)(H,38,44)/t26-,27-,28-,29-,30+/m0/s1
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n/an/a 8.90E+3n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
Inhibition of Bovine Cathepsin D


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50006847
PNG
(CHEMBL86374 | N-[2-(2-Amino-thiazol-4-yl)-1-(1-cyc...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/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)/t26-,27+,28-,29-,30+/m0/s1
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n/an/a 1.45E+4n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
Inhibition of Bovine Cathepsin D


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006850
PNG
(CHEMBL313063 | 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)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C33H51N5O7S2/c1-23(2)17-30(39)31(40)27(18-24-9-5-3-6-10-24)35-32(41)28(20-26-21-46-22-34-26)36-33(42)29(19-25-11-7-4-8-12-25)37-47(43,44)38-13-15-45-16-14-38/h4,7-8,11-12,21-24,27-31,37,39-40H,3,5-6,9-10,13-20H2,1-2H3,(H,35,41)(H,36,42)/t27-,28-,29-,30-,31+/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of monkey renin.


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006854
PNG
(CHEMBL88069 | N-[2-(2-Amino-thiazol-4-yl)-1-(1-cyc...)
Show SMILES CC[C@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C32H50N6O7S2/c1-2-25(39)20-29(40)26(17-22-9-5-3-6-10-22)35-30(41)27(19-24-21-46-32(33)34-24)36-31(42)28(18-23-11-7-4-8-12-23)37-47(43,44)38-13-15-45-16-14-38/h4,7-8,11-12,21-22,25-29,37,39-40H,2-3,5-6,9-10,13-20H2,1H3,(H2,33,34)(H,35,41)(H,36,42)/t25-,26-,27-,28-,29-/m0/s1
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n/an/a 0.270n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of monkey renin.


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50006844
PNG
((S)-N-[(S)-2-(2-Amino-thiazol-4-yl)-1-((1S,2R,3S)-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/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)/t26-,27-,28-,29-,30+/m0/s1
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n/an/a 1.25E+3n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
Inhibition of Bovine Cathepsin D


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006857
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@@H](O)CC(=O)NCCN(CCO)CCO)cs1
Show InChI InChI=1S/C36H58N8O9S2/c37-36-39-28(25-54-36)23-30(41-35(50)31(22-27-9-5-2-6-10-27)42-55(51,52)44-15-19-53-20-16-44)34(49)40-29(21-26-7-3-1-4-8-26)32(47)24-33(48)38-11-12-43(13-17-45)14-18-46/h2,5-6,9-10,25-26,29-32,42,45-47H,1,3-4,7-8,11-24H2,(H2,37,39)(H,38,48)(H,40,49)(H,41,50)/t29-,30-,31-,32-/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of monkey renin.


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006861
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@@H](O)CC(=O)NCCN2CCOCC2)cs1
Show InChI InChI=1S/C36H56N8O8S2/c37-36-39-28(25-53-36)23-30(41-35(48)31(22-27-9-5-2-6-10-27)42-54(49,50)44-15-19-52-20-16-44)34(47)40-29(21-26-7-3-1-4-8-26)32(45)24-33(46)38-11-12-43-13-17-51-18-14-43/h2,5-6,9-10,25-26,29-32,42,45H,1,3-4,7-8,11-24H2,(H2,37,39)(H,38,46)(H,40,47)(H,41,48)/t29-,30-,31-,32-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of monkey renin.


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50006844
PNG
((S)-N-[(S)-2-(2-Amino-thiazol-4-yl)-1-((1S,2R,3S)-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/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)/t26-,27-,28-,29-,30+/m0/s1
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n/an/a 199n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of plasma renin activity in rat


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50006845
PNG
(CHEMBL316208 | N-[2-(2-Amino-thiazol-4-yl)-1-(1-cy...)
Show SMILES COc1ccc(C[C@H](NS(=O)(=O)N2CCOCC2)C(=O)N[C@@H](Cc2csc(N)n2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1
Show InChI InChI=1S/C34H54N6O8S2/c1-22(2)17-30(41)31(42)27(18-23-7-5-4-6-8-23)37-32(43)28(20-25-21-49-34(35)36-25)38-33(44)29(19-24-9-11-26(47-3)12-10-24)39-50(45,46)40-13-15-48-16-14-40/h9-12,21-23,27-31,39,41-42H,4-8,13-20H2,1-3H3,(H2,35,36)(H,37,43)(H,38,44)/t27-,28-,29-,30-,31+/m0/s1
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n/an/a 2.17E+3n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
Inhibition of Bovine Cathepsin D


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006862
PNG
(4-{3-(2-Amino-thiazol-4-yl)-2-[2-(morpholine-4-sul...)
Show SMILES CC[C@@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C32H51N7O7S2/c1-5-22(4)19-34-29(41)18-28(40)25(15-21(2)3)36-30(42)26(17-24-20-47-32(33)35-24)37-31(43)27(16-23-9-7-6-8-10-23)38-48(44,45)39-11-13-46-14-12-39/h6-10,20-22,25-28,38,40H,5,11-19H2,1-4H3,(H2,33,35)(H,34,41)(H,36,42)(H,37,43)/t22-,25+,26+,27+,28+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of monkey renin.


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006848
PNG
(CHEMBL88091 | N-[2-(2-Amino-thiazol-4-yl)-1-(1-cyc...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCNCC1
Show InChI InChI=1S/C33H53N7O6S2/c1-22(2)17-29(41)30(42)26(18-23-9-5-3-6-10-23)37-31(43)27(20-25-21-47-33(34)36-25)38-32(44)28(19-24-11-7-4-8-12-24)39-48(45,46)40-15-13-35-14-16-40/h4,7-8,11-12,21-23,26-30,35,39,41-42H,3,5-6,9-10,13-20H2,1-2H3,(H2,34,36)(H,37,43)(H,38,44)/t26-,27-,28-,29-,30+/m0/s1
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n/an/a 0.160n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of monkey renin.


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006847
PNG
(CHEMBL86374 | N-[2-(2-Amino-thiazol-4-yl)-1-(1-cyc...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/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)/t26-,27+,28-,29-,30+/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of monkey renin.


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50006857
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@@H](O)CC(=O)NCCN(CCO)CCO)cs1
Show InChI InChI=1S/C36H58N8O9S2/c37-36-39-28(25-54-36)23-30(41-35(50)31(22-27-9-5-2-6-10-27)42-55(51,52)44-15-19-53-20-16-44)34(49)40-29(21-26-7-3-1-4-8-26)32(47)24-33(48)38-11-12-43(13-17-45)14-18-46/h2,5-6,9-10,25-26,29-32,42,45-47H,1,3-4,7-8,11-24H2,(H2,37,39)(H,38,48)(H,40,49)(H,41,50)/t29-,30-,31-,32-/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
Inhibition of Bovine Cathepsin D


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50006850
PNG
(CHEMBL313063 | 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)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C33H51N5O7S2/c1-23(2)17-30(39)31(40)27(18-24-9-5-3-6-10-24)35-32(41)28(20-26-21-46-22-34-26)36-33(42)29(19-25-11-7-4-8-12-25)37-47(43,44)38-13-15-45-16-14-38/h4,7-8,11-12,21-24,27-31,37,39-40H,3,5-6,9-10,13-20H2,1-2H3,(H,35,41)(H,36,42)/t27-,28-,29-,30-,31+/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
Inhibition of Bovine Cathepsin D


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006844
PNG
((S)-N-[(S)-2-(2-Amino-thiazol-4-yl)-1-((1S,2R,3S)-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/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)/t26-,27-,28-,29-,30+/m0/s1
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n/an/a 0.360n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of monkey renin.


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006844
PNG
((S)-N-[(S)-2-(2-Amino-thiazol-4-yl)-1-((1S,2R,3S)-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/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)/t26-,27-,28-,29-,30+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of plasma renin activity in monkey


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006844
PNG
((S)-N-[(S)-2-(2-Amino-thiazol-4-yl)-1-((1S,2R,3S)-...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/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)/t26-,27-,28-,29-,30+/m0/s1
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n/an/a 0.570n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of plasma renin activity in human


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair