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19 similar compounds to monomer 50010421

Compile data set for download or QSAR
Wt: 793.0
BDBM50010408
Wt: 753.9
BDBM50010410
Wt: 753.9
BDBM50010413
Wt: 893.1
BDBM50010415
Wt: 783.0
BDBM50010417
Wt: 821.0
BDBM50010419
Wt: 751.9
BDBM50010420
Wt: 666.8
BDBM50010422
Wt: 779.9
BDBM50010423
Wt: 766.9
BDBM50010424
Wt: 768.9
BDBM50010425
Wt: 752.9
BDBM50010427
Wt: 767.9
BDBM50010428
Wt: 780.9
BDBM50010430
Wt: 822.0
BDBM50010431
Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 45 hits for monomerid = 50010408,50010410,50010413,50010415,50010417,50010419,50010420,50010422,50010423,50010424,50010425,50010427,50010428,50010430,50010431   
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
Pepsin A


(Porcine)
BDBM50010410
PNG
(CHEMBL323006 | [4-(3-{1-[(4-Amino-2-methyl-pyrimid...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C40H63N7O7/c1-7-25(2)36(38(52)43-24-29-23-42-26(3)44-37(29)41)47-35(51)22-33(49)31(21-28-16-12-9-13-17-28)45-34(50)19-18-32(48)30(20-27-14-10-8-11-15-27)46-39(53)54-40(4,5)6/h8,10-11,14-15,23,25,28,30-33,36,48-49H,7,9,12-13,16-22,24H2,1-6H3,(H,43,52)(H,45,50)(H,46,53)(H,47,51)(H2,41,42,44)/t25-,30-,31-,32+,33-,36-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine Pepsin.


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50010430
PNG
(BOC-Phe-N-(CH2)3CO-ACHPA-Ile N-[(4-amino-2-methyl-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@@H](CC1CCCCC1)NC(=O)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C41H64N8O7/c1-7-26(2)36(39(54)45-25-30-24-44-27(3)46-37(30)42)49-35(52)23-33(50)31(21-28-15-10-8-11-16-28)47-34(51)19-14-20-43-38(53)32(22-29-17-12-9-13-18-29)48-40(55)56-41(4,5)6/h9,12-13,17-18,24,26,28,31-33,36,50H,7-8,10-11,14-16,19-23,25H2,1-6H3,(H,43,53)(H,45,54)(H,47,51)(H,48,55)(H,49,52)(H2,42,44,46)/t26-,31+,32+,33-,36-/m0/s1
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E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine Pepsin.


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50010413
PNG
(CHEMBL324624 | [4-(3-{1-[(4-Amino-2-methyl-pyrimid...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C40H63N7O7/c1-7-25(2)36(38(52)43-24-29-23-42-26(3)44-37(29)41)47-35(51)22-33(49)31(21-28-16-12-9-13-17-28)45-34(50)19-18-32(48)30(20-27-14-10-8-11-15-27)46-39(53)54-40(4,5)6/h8,10-11,14-15,23,25,28,30-33,36,48-49H,7,9,12-13,16-22,24H2,1-6H3,(H,43,52)(H,45,50)(H,46,53)(H,47,51)(H2,41,42,44)/t25-,30-,31-,32-,33-,36-/m0/s1
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E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine Pepsin.


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50010408
PNG
(4-Amino-piperidine-1-carboxylic acid {1-[2-(3-{1-[...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(N)CC1)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C41H64N10O6/c1-4-26(2)37(40(56)46-25-30-24-45-27(3)47-38(30)43)50-36(54)23-34(52)32(21-28-11-7-5-8-12-28)48-35(53)15-18-44-39(55)33(22-29-13-9-6-10-14-29)49-41(57)51-19-16-31(42)17-20-51/h6,9-10,13-14,24,26,28,31-34,37,52H,4-5,7-8,11-12,15-23,25,42H2,1-3H3,(H,44,55)(H,46,56)(H,48,53)(H,49,57)(H,50,54)(H2,43,45,47)/t26-,32-,33-,34-,37-/m0/s1
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n/an/a 8.50E+3n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine Cathepsin D


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50010415
PNG
((1-{1-[2-(3-{1-[(4-Amino-2-methyl-pyrimidin-5-ylme...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(CC1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C46H72N10O8/c1-7-29(2)40(43(61)50-28-33-27-49-30(3)51-41(33)47)55-39(59)26-37(57)35(24-31-14-10-8-11-15-31)53-38(58)18-21-48-42(60)36(25-32-16-12-9-13-17-32)54-44(62)56-22-19-34(20-23-56)52-45(63)64-46(4,5)6/h9,12-13,16-17,27,29,31,34-37,40,57H,7-8,10-11,14-15,18-26,28H2,1-6H3,(H,48,60)(H,50,61)(H,52,63)(H,53,58)(H,54,62)(H,55,59)(H2,47,49,51)/t29-,35-,36-,37-,40-/m0/s1
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n/an/a 5.90E+3n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine Cathepsin D


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50010417
PNG
(BOC-Phe-beta-Ala-Leu-psi[CHOHCH2]Val-Ile N-[(4-ami...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C41H66N8O7/c1-11-26(6)35(39(54)45-23-29-22-44-27(7)46-36(29)42)49-37(52)30(25(4)5)21-33(50)31(19-24(2)3)47-34(51)17-18-43-38(53)32(20-28-15-13-12-14-16-28)48-40(55)56-41(8,9)10/h12-16,22,24-26,30-33,35,50H,11,17-21,23H2,1-10H3,(H,43,53)(H,45,54)(H,47,51)(H,48,55)(H,49,52)(H2,42,44,46)/t26-,30-,31-,32-,33-,35-/m0/s1
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n/an/a 830n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine Pepsin.


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50010415
PNG
((1-{1-[2-(3-{1-[(4-Amino-2-methyl-pyrimidin-5-ylme...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(CC1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C46H72N10O8/c1-7-29(2)40(43(61)50-28-33-27-49-30(3)51-41(33)47)55-39(59)26-37(57)35(24-31-14-10-8-11-15-31)53-38(58)18-21-48-42(60)36(25-32-16-12-9-13-17-32)54-44(62)56-22-19-34(20-23-56)52-45(63)64-46(4,5)6/h9,12-13,16-17,27,29,31,34-37,40,57H,7-8,10-11,14-15,18-26,28H2,1-6H3,(H,48,60)(H,50,61)(H,52,63)(H,53,58)(H,54,62)(H,55,59)(H2,47,49,51)/t29-,35-,36-,37-,40-/m0/s1
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E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine Pepsin.


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50010419
PNG
(4-Dimethylamino-piperidine-1-carboxylic acid {1-[2...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(CC1)N(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C43H68N10O6/c1-6-28(2)39(42(58)47-27-32-26-46-29(3)48-40(32)44)51-38(56)25-36(54)34(23-30-13-9-7-10-14-30)49-37(55)17-20-45-41(57)35(24-31-15-11-8-12-16-31)50-43(59)53-21-18-33(19-22-53)52(4)5/h8,11-12,15-16,26,28,30,33-36,39,54H,6-7,9-10,13-14,17-25,27H2,1-5H3,(H,45,57)(H,47,58)(H,49,55)(H,50,59)(H,51,56)(H2,44,46,48)/t28-,34-,35-,36-,39-/m0/s1
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n/an/a 0.580n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against human renin


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50010408
PNG
(4-Amino-piperidine-1-carboxylic acid {1-[2-(3-{1-[...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(N)CC1)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C41H64N10O6/c1-4-26(2)37(40(56)46-25-30-24-45-27(3)47-38(30)43)50-36(54)23-34(52)32(21-28-11-7-5-8-12-28)48-35(53)15-18-44-39(55)33(22-29-13-9-6-10-14-29)49-41(57)51-19-16-31(42)17-20-51/h6,9-10,13-14,24,26,28,31-34,37,52H,4-5,7-8,11-12,15-23,25,42H2,1-3H3,(H,44,55)(H,46,56)(H,48,53)(H,49,57)(H,50,54)(H2,43,45,47)/t26-,32-,33-,34-,37-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine Pepsin.


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50010413
PNG
(CHEMBL324624 | [4-(3-{1-[(4-Amino-2-methyl-pyrimid...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C40H63N7O7/c1-7-25(2)36(38(52)43-24-29-23-42-26(3)44-37(29)41)47-35(51)22-33(49)31(21-28-16-12-9-13-17-28)45-34(50)19-18-32(48)30(20-27-14-10-8-11-15-27)46-39(53)54-40(4,5)6/h8,10-11,14-15,23,25,28,30-33,36,48-49H,7,9,12-13,16-22,24H2,1-6H3,(H,43,52)(H,45,50)(H,46,53)(H,47,51)(H2,41,42,44)/t25-,30-,31-,32-,33-,36-/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against human renin


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50010422
PNG
(CHEMBL545512 | H-Phe-beta-Ala-ACHPA-Ile N-[(4-amin...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C35H54N8O5/c1-4-22(2)32(35(48)40-21-26-20-39-23(3)41-33(26)37)43-31(46)19-29(44)28(18-25-13-9-6-10-14-25)42-30(45)15-16-38-34(47)27(36)17-24-11-7-5-8-12-24/h5,7-8,11-12,20,22,25,27-29,32,44H,4,6,9-10,13-19,21,36H2,1-3H3,(H,38,47)(H,40,48)(H,42,45)(H,43,46)(H2,37,39,41)/t22-,27-,28-,29-,32-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against human renin


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50010420
PNG
(CHEMBL325119 | [4-(3-{1-[(4-Amino-2-methyl-pyrimid...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C40H61N7O7/c1-7-25(2)36(38(52)43-24-29-23-42-26(3)44-37(29)41)47-35(51)22-33(49)31(21-28-16-12-9-13-17-28)45-34(50)19-18-32(48)30(20-27-14-10-8-11-15-27)46-39(53)54-40(4,5)6/h8,10-11,14-15,23,25,28,30-31,33,36,49H,7,9,12-13,16-22,24H2,1-6H3,(H,43,52)(H,45,50)(H,46,53)(H,47,51)(H2,41,42,44)/t25-,30-,31-,33-,36-/m0/s1
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n/an/a 8.5n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against human renin


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50010423
PNG
((Morpholinocarbonyl)-Phe-beta-Ala-ACHPA-Ile N-[(4-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C40H61N9O7/c1-4-26(2)36(39(54)44-25-30-24-43-27(3)45-37(30)41)48-35(52)23-33(50)31(21-28-11-7-5-8-12-28)46-34(51)15-16-42-38(53)32(22-29-13-9-6-10-14-29)47-40(55)49-17-19-56-20-18-49/h6,9-10,13-14,24,26,28,31-33,36,50H,4-5,7-8,11-12,15-23,25H2,1-3H3,(H,42,53)(H,44,54)(H,46,51)(H,47,55)(H,48,52)(H2,41,43,45)/t26-,31-,32-,33-,36-/m0/s1
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E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against human renin


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50010425
PNG
(BOC-Phe-Gly-Leu-psi[CHOHCH2]Gly-Ile N-[(4-amino-2-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C40H64N8O7/c1-11-25(6)34(38(53)43-21-28-20-42-26(7)45-35(28)41)48-36(51)29(24(4)5)19-32(49)30(17-23(2)3)46-33(50)22-44-37(52)31(18-27-15-13-12-14-16-27)47-39(54)55-40(8,9)10/h12-16,20,23-25,29-32,34,49H,11,17-19,21-22H2,1-10H3,(H,43,53)(H,44,52)(H,46,50)(H,47,54)(H,48,51)(H2,41,42,45)/t25-,29-,30-,31-,32-,34-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine Pepsin.


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50010424
PNG
(BOC-Phe-Ala-ACHPA-Ile N-[(4-amino-2-methyl-5-pyrim...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C40H62N8O7/c1-8-24(2)34(38(53)43-23-29-22-42-26(4)45-35(29)41)48-33(50)21-32(49)30(19-27-15-11-9-12-16-27)46-36(51)25(3)44-37(52)31(20-28-17-13-10-14-18-28)47-39(54)55-40(5,6)7/h10,13-14,17-18,22,24-25,27,30-32,34,49H,8-9,11-12,15-16,19-21,23H2,1-7H3,(H,43,53)(H,44,52)(H,46,51)(H,47,54)(H,48,50)(H2,41,42,45)/t24-,25-,30-,31-,32-,34-/m0/s1
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n/an/a 950n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine Pepsin.


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50010427
PNG
(BOC-Phe-Gly-ACHPA-Ile N-[(4-amino-2-methyl-5-pyrim...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@@H](CC1CCCCC1)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C39H60N8O7/c1-7-24(2)34(37(52)42-22-28-21-41-25(3)44-35(28)40)47-32(49)20-31(48)29(18-26-14-10-8-11-15-26)45-33(50)23-43-36(51)30(19-27-16-12-9-13-17-27)46-38(53)54-39(4,5)6/h9,12-13,16-17,21,24,26,29-31,34,48H,7-8,10-11,14-15,18-20,22-23H2,1-6H3,(H,42,52)(H,43,51)(H,45,50)(H,46,53)(H,47,49)(H2,40,41,44)/t24-,29+,30+,31-,34-/m0/s1
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n/an/a 3.85E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine Pepsin.


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50010417
PNG
(BOC-Phe-beta-Ala-Leu-psi[CHOHCH2]Val-Ile N-[(4-ami...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C41H66N8O7/c1-11-26(6)35(39(54)45-23-29-22-44-27(7)46-36(29)42)49-37(52)30(25(4)5)21-33(50)31(19-24(2)3)47-34(51)17-18-43-38(53)32(20-28-15-13-12-14-16-28)48-40(55)56-41(8,9)10/h12-16,22,24-26,30-33,35,50H,11,17-21,23H2,1-10H3,(H,43,53)(H,45,54)(H,47,51)(H,48,55)(H,49,52)(H2,42,44,46)/t26-,30-,31-,32-,33-,35-/m0/s1
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n/an/a 4.10n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against human renin


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50010428
PNG
(BOC-Phe-psi[COCH2]Gly-Leu-psi-[CHOHCH2]Val-Ile N-[...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C41H65N7O7/c1-11-26(6)36(39(53)44-23-29-22-43-27(7)45-37(29)42)48-38(52)30(25(4)5)21-34(50)31(19-24(2)3)46-35(51)18-17-33(49)32(20-28-15-13-12-14-16-28)47-40(54)55-41(8,9)10/h12-16,22,24-26,30-32,34,36,50H,11,17-21,23H2,1-10H3,(H,44,53)(H,46,51)(H,47,54)(H,48,52)(H2,42,43,45)/t26-,30-,31-,32-,34-,36-/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine Cathepsin D


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50010428
PNG
(BOC-Phe-psi[COCH2]Gly-Leu-psi-[CHOHCH2]Val-Ile N-[...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C41H65N7O7/c1-11-26(6)36(39(53)44-23-29-22-43-27(7)45-37(29)42)48-38(52)30(25(4)5)21-34(50)31(19-24(2)3)46-35(51)18-17-33(49)32(20-28-15-13-12-14-16-28)47-40(54)55-41(8,9)10/h12-16,22,24-26,30-32,34,36,50H,11,17-21,23H2,1-10H3,(H,44,53)(H,46,51)(H,47,54)(H,48,52)(H2,42,43,45)/t26-,30-,31-,32-,34-,36-/m0/s1
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n/an/a 5.10n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against human renin


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50010413
PNG
(CHEMBL324624 | [4-(3-{1-[(4-Amino-2-methyl-pyrimid...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C40H63N7O7/c1-7-25(2)36(38(52)43-24-29-23-42-26(3)44-37(29)41)47-35(51)22-33(49)31(21-28-16-12-9-13-17-28)45-34(50)19-18-32(48)30(20-27-14-10-8-11-15-27)46-39(53)54-40(4,5)6/h8,10-11,14-15,23,25,28,30-33,36,48-49H,7,9,12-13,16-22,24H2,1-6H3,(H,43,52)(H,45,50)(H,46,53)(H,47,51)(H2,41,42,44)/t25-,30-,31-,32-,33-,36-/m0/s1
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E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine Cathepsin D


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50010430
PNG
(BOC-Phe-N-(CH2)3CO-ACHPA-Ile N-[(4-amino-2-methyl-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@@H](CC1CCCCC1)NC(=O)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C41H64N8O7/c1-7-26(2)36(39(54)45-25-30-24-44-27(3)46-37(30)42)49-35(52)23-33(50)31(21-28-15-10-8-11-16-28)47-34(51)19-14-20-43-38(53)32(22-29-17-12-9-13-18-29)48-40(55)56-41(4,5)6/h9,12-13,17-18,24,26,28,31-33,36,50H,7-8,10-11,14-16,19-23,25H2,1-6H3,(H,43,53)(H,45,54)(H,47,51)(H,48,55)(H,49,52)(H2,42,44,46)/t26-,31+,32+,33-,36-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against human renin


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50010419
PNG
(4-Dimethylamino-piperidine-1-carboxylic acid {1-[2...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(CC1)N(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C43H68N10O6/c1-6-28(2)39(42(58)47-27-32-26-46-29(3)48-40(32)44)51-38(56)25-36(54)34(23-30-13-9-7-10-14-30)49-37(55)17-20-45-41(57)35(24-31-15-11-8-12-16-31)50-43(59)53-21-18-33(19-22-53)52(4)5/h8,11-12,15-16,26,28,30,33-36,39,54H,6-7,9-10,13-14,17-25,27H2,1-5H3,(H,45,57)(H,47,58)(H,49,55)(H,50,59)(H,51,56)(H2,44,46,48)/t28-,34-,35-,36-,39-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine Cathepsin D


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50010420
PNG
(CHEMBL325119 | [4-(3-{1-[(4-Amino-2-methyl-pyrimid...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C40H61N7O7/c1-7-25(2)36(38(52)43-24-29-23-42-26(3)44-37(29)41)47-35(51)22-33(49)31(21-28-16-12-9-13-17-28)45-34(50)19-18-32(48)30(20-27-14-10-8-11-15-27)46-39(53)54-40(4,5)6/h8,10-11,14-15,23,25,28,30-31,33,36,49H,7,9,12-13,16-22,24H2,1-6H3,(H,43,52)(H,45,50)(H,46,53)(H,47,51)(H2,41,42,44)/t25-,30-,31-,33-,36-/m0/s1
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E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine Pepsin.


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50010431
PNG
(CHEMBL320726 | [4-(Carboxypiperidino)carbonyl]-Phe...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCC(CC1)C(O)=O)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C42H63N9O8/c1-4-26(2)37(40(56)46-25-31-24-45-27(3)47-38(31)43)50-36(54)23-34(52)32(21-28-11-7-5-8-12-28)48-35(53)15-18-44-39(55)33(22-29-13-9-6-10-14-29)49-42(59)51-19-16-30(17-20-51)41(57)58/h6,9-10,13-14,24,26,28,30,32-34,37,52H,4-5,7-8,11-12,15-23,25H2,1-3H3,(H,44,55)(H,46,56)(H,48,53)(H,49,59)(H,50,54)(H,57,58)(H2,43,45,47)/t26-,32-,33+,34-,37-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against human renin


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50010417
PNG
(BOC-Phe-beta-Ala-Leu-psi[CHOHCH2]Val-Ile N-[(4-ami...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C41H66N8O7/c1-11-26(6)35(39(54)45-23-29-22-44-27(7)46-36(29)42)49-37(52)30(25(4)5)21-33(50)31(19-24(2)3)47-34(51)17-18-43-38(53)32(20-28-15-13-12-14-16-28)48-40(55)56-41(8,9)10/h12-16,22,24-26,30-33,35,50H,11,17-21,23H2,1-10H3,(H,43,53)(H,45,54)(H,47,51)(H,48,55)(H,49,52)(H2,42,44,46)/t26-,30-,31-,32-,33-,35-/m0/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine Cathepsin D


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50010425
PNG
(BOC-Phe-Gly-Leu-psi[CHOHCH2]Gly-Ile N-[(4-amino-2-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C40H64N8O7/c1-11-25(6)34(38(53)43-21-28-20-42-26(7)45-35(28)41)48-36(51)29(24(4)5)19-32(49)30(17-23(2)3)46-33(50)22-44-37(52)31(18-27-15-13-12-14-16-27)47-39(54)55-40(8,9)10/h12-16,20,23-25,29-32,34,49H,11,17-19,21-22H2,1-10H3,(H,43,53)(H,44,52)(H,46,50)(H,47,54)(H,48,51)(H2,41,42,45)/t25-,29-,30-,31-,32-,34-/m0/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine Cathepsin D


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50010424
PNG
(BOC-Phe-Ala-ACHPA-Ile N-[(4-amino-2-methyl-5-pyrim...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C40H62N8O7/c1-8-24(2)34(38(53)43-23-29-22-42-26(4)45-35(29)41)48-33(50)21-32(49)30(19-27-15-11-9-12-16-27)46-36(51)25(3)44-37(52)31(20-28-17-13-10-14-18-28)47-39(54)55-40(5,6)7/h10,13-14,17-18,22,24-25,27,30-32,34,49H,8-9,11-12,15-16,19-21,23H2,1-7H3,(H,43,53)(H,44,52)(H,46,51)(H,47,54)(H,48,50)(H2,41,42,45)/t24-,25-,30-,31-,32-,34-/m0/s1
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n/an/a 0.530n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against human renin


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50010423
PNG
((Morpholinocarbonyl)-Phe-beta-Ala-ACHPA-Ile N-[(4-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C40H61N9O7/c1-4-26(2)36(39(54)44-25-30-24-43-27(3)45-37(30)41)48-35(52)23-33(50)31(21-28-11-7-5-8-12-28)46-34(51)15-16-42-38(53)32(22-29-13-9-6-10-14-29)47-40(55)49-17-19-56-20-18-49/h6,9-10,13-14,24,26,28,31-33,36,50H,4-5,7-8,11-12,15-23,25H2,1-3H3,(H,42,53)(H,44,54)(H,46,51)(H,47,55)(H,48,52)(H2,41,43,45)/t26-,31-,32-,33-,36-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine Pepsin.


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50010430
PNG
(BOC-Phe-N-(CH2)3CO-ACHPA-Ile N-[(4-amino-2-methyl-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@@H](CC1CCCCC1)NC(=O)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C41H64N8O7/c1-7-26(2)36(39(54)45-25-30-24-44-27(3)46-37(30)42)49-35(52)23-33(50)31(21-28-15-10-8-11-16-28)47-34(51)19-14-20-43-38(53)32(22-29-17-12-9-13-18-29)48-40(55)56-41(4,5)6/h9,12-13,17-18,24,26,28,31-33,36,50H,7-8,10-11,14-16,19-23,25H2,1-6H3,(H,43,53)(H,45,54)(H,47,51)(H,48,55)(H,49,52)(H2,42,44,46)/t26-,31+,32+,33-,36-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine Cathepsin D


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50010410
PNG
(CHEMBL323006 | [4-(3-{1-[(4-Amino-2-methyl-pyrimid...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C40H63N7O7/c1-7-25(2)36(38(52)43-24-29-23-42-26(3)44-37(29)41)47-35(51)22-33(49)31(21-28-16-12-9-13-17-28)45-34(50)19-18-32(48)30(20-27-14-10-8-11-15-27)46-39(53)54-40(4,5)6/h8,10-11,14-15,23,25,28,30-33,36,48-49H,7,9,12-13,16-22,24H2,1-6H3,(H,43,52)(H,45,50)(H,46,53)(H,47,51)(H2,41,42,44)/t25-,30-,31-,32+,33-,36-/m0/s1
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E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine Cathepsin D


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50010422
PNG
(CHEMBL545512 | H-Phe-beta-Ala-ACHPA-Ile N-[(4-amin...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C35H54N8O5/c1-4-22(2)32(35(48)40-21-26-20-39-23(3)41-33(26)37)43-31(46)19-29(44)28(18-25-13-9-6-10-14-25)42-30(45)15-16-38-34(47)27(36)17-24-11-7-5-8-12-24/h5,7-8,11-12,20,22,25,27-29,32,44H,4,6,9-10,13-19,21,36H2,1-3H3,(H,38,47)(H,40,48)(H,42,45)(H,43,46)(H2,37,39,41)/t22-,27-,28-,29-,32-/m0/s1
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E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine Cathepsin D


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50010427
PNG
(BOC-Phe-Gly-ACHPA-Ile N-[(4-amino-2-methyl-5-pyrim...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@@H](CC1CCCCC1)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C39H60N8O7/c1-7-24(2)34(37(52)42-22-28-21-41-25(3)44-35(28)40)47-32(49)20-31(48)29(18-26-14-10-8-11-15-26)45-33(50)23-43-36(51)30(19-27-16-12-9-13-17-27)46-38(53)54-39(4,5)6/h9,12-13,16-17,21,24,26,29-31,34,48H,7-8,10-11,14-15,18-20,22-23H2,1-6H3,(H,42,52)(H,43,51)(H,45,50)(H,46,53)(H,47,49)(H2,40,41,44)/t24-,29+,30+,31-,34-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine Cathepsin D


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50010415
PNG
((1-{1-[2-(3-{1-[(4-Amino-2-methyl-pyrimidin-5-ylme...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(CC1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C46H72N10O8/c1-7-29(2)40(43(61)50-28-33-27-49-30(3)51-41(33)47)55-39(59)26-37(57)35(24-31-14-10-8-11-15-31)53-38(58)18-21-48-42(60)36(25-32-16-12-9-13-17-32)54-44(62)56-22-19-34(20-23-56)52-45(63)64-46(4,5)6/h9,12-13,16-17,27,29,31,34-37,40,57H,7-8,10-11,14-15,18-26,28H2,1-6H3,(H,48,60)(H,50,61)(H,52,63)(H,53,58)(H,54,62)(H,55,59)(H2,47,49,51)/t29-,35-,36-,37-,40-/m0/s1
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n/an/a 0.650n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against human renin


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50010431
PNG
(CHEMBL320726 | [4-(Carboxypiperidino)carbonyl]-Phe...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCC(CC1)C(O)=O)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C42H63N9O8/c1-4-26(2)37(40(56)46-25-31-24-45-27(3)47-38(31)43)50-36(54)23-34(52)32(21-28-11-7-5-8-12-28)48-35(53)15-18-44-39(55)33(22-29-13-9-6-10-14-29)49-42(59)51-19-16-30(17-20-51)41(57)58/h6,9-10,13-14,24,26,28,30,32-34,37,52H,4-5,7-8,11-12,15-23,25H2,1-3H3,(H,44,55)(H,46,56)(H,48,53)(H,49,59)(H,50,54)(H,57,58)(H2,43,45,47)/t26-,32-,33+,34-,37-/m0/s1
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E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine Pepsin.


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50010428
PNG
(BOC-Phe-psi[COCH2]Gly-Leu-psi-[CHOHCH2]Val-Ile N-[...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C41H65N7O7/c1-11-26(6)36(39(53)44-23-29-22-43-27(7)45-37(29)42)48-38(52)30(25(4)5)21-34(50)31(19-24(2)3)46-35(51)18-17-33(49)32(20-28-15-13-12-14-16-28)47-40(54)55-41(8,9)10/h12-16,22,24-26,30-32,34,36,50H,11,17-21,23H2,1-10H3,(H,44,53)(H,46,51)(H,47,54)(H,48,52)(H2,42,43,45)/t26-,30-,31-,32-,34-,36-/m0/s1
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E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine Pepsin.


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50010419
PNG
(4-Dimethylamino-piperidine-1-carboxylic acid {1-[2...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(CC1)N(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C43H68N10O6/c1-6-28(2)39(42(58)47-27-32-26-46-29(3)48-40(32)44)51-38(56)25-36(54)34(23-30-13-9-7-10-14-30)49-37(55)17-20-45-41(57)35(24-31-15-11-8-12-16-31)50-43(59)53-21-18-33(19-22-53)52(4)5/h8,11-12,15-16,26,28,30,33-36,39,54H,6-7,9-10,13-14,17-25,27H2,1-5H3,(H,45,57)(H,47,58)(H,49,55)(H,50,59)(H,51,56)(H2,44,46,48)/t28-,34-,35-,36-,39-/m0/s1
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E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine Pepsin.


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50010431
PNG
(CHEMBL320726 | [4-(Carboxypiperidino)carbonyl]-Phe...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCC(CC1)C(O)=O)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C42H63N9O8/c1-4-26(2)37(40(56)46-25-31-24-45-27(3)47-38(31)43)50-36(54)23-34(52)32(21-28-11-7-5-8-12-28)48-35(53)15-18-44-39(55)33(22-29-13-9-6-10-14-29)49-42(59)51-19-16-30(17-20-51)41(57)58/h6,9-10,13-14,24,26,28,30,32-34,37,52H,4-5,7-8,11-12,15-23,25H2,1-3H3,(H,44,55)(H,46,56)(H,48,53)(H,49,59)(H,50,54)(H,57,58)(H2,43,45,47)/t26-,32-,33+,34-,37-/m0/s1
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E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine Cathepsin D


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50010410
PNG
(CHEMBL323006 | [4-(3-{1-[(4-Amino-2-methyl-pyrimid...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C40H63N7O7/c1-7-25(2)36(38(52)43-24-29-23-42-26(3)44-37(29)41)47-35(51)22-33(49)31(21-28-16-12-9-13-17-28)45-34(50)19-18-32(48)30(20-27-14-10-8-11-15-27)46-39(53)54-40(4,5)6/h8,10-11,14-15,23,25,28,30-33,36,48-49H,7,9,12-13,16-22,24H2,1-6H3,(H,43,52)(H,45,50)(H,46,53)(H,47,51)(H2,41,42,44)/t25-,30-,31-,32+,33-,36-/m0/s1
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E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against human renin


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50010423
PNG
((Morpholinocarbonyl)-Phe-beta-Ala-ACHPA-Ile N-[(4-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C40H61N9O7/c1-4-26(2)36(39(54)44-25-30-24-43-27(3)45-37(30)41)48-35(52)23-33(50)31(21-28-11-7-5-8-12-28)46-34(51)15-16-42-38(53)32(22-29-13-9-6-10-14-29)47-40(55)49-17-19-56-20-18-49/h6,9-10,13-14,24,26,28,31-33,36,50H,4-5,7-8,11-12,15-23,25H2,1-3H3,(H,42,53)(H,44,54)(H,46,51)(H,47,55)(H,48,52)(H2,41,43,45)/t26-,31-,32-,33-,36-/m0/s1
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E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine Cathepsin D


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50010420
PNG
(CHEMBL325119 | [4-(3-{1-[(4-Amino-2-methyl-pyrimid...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C40H61N7O7/c1-7-25(2)36(38(52)43-24-29-23-42-26(3)44-37(29)41)47-35(51)22-33(49)31(21-28-16-12-9-13-17-28)45-34(50)19-18-32(48)30(20-27-14-10-8-11-15-27)46-39(53)54-40(4,5)6/h8,10-11,14-15,23,25,28,30-31,33,36,49H,7,9,12-13,16-22,24H2,1-6H3,(H,43,52)(H,45,50)(H,46,53)(H,47,51)(H2,41,42,44)/t25-,30-,31-,33-,36-/m0/s1
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E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine Cathepsin D


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50010424
PNG
(BOC-Phe-Ala-ACHPA-Ile N-[(4-amino-2-methyl-5-pyrim...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C40H62N8O7/c1-8-24(2)34(38(53)43-23-29-22-42-26(4)45-35(29)41)48-33(50)21-32(49)30(19-27-15-11-9-12-16-27)46-36(51)25(3)44-37(52)31(20-28-17-13-10-14-18-28)47-39(54)55-40(5,6)7/h10,13-14,17-18,22,24-25,27,30-32,34,49H,8-9,11-12,15-16,19-21,23H2,1-7H3,(H,43,53)(H,44,52)(H,46,51)(H,47,54)(H,48,50)(H2,41,42,45)/t24-,25-,30-,31-,32-,34-/m0/s1
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E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine Cathepsin D


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50010422
PNG
(CHEMBL545512 | H-Phe-beta-Ala-ACHPA-Ile N-[(4-amin...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C35H54N8O5/c1-4-22(2)32(35(48)40-21-26-20-39-23(3)41-33(26)37)43-31(46)19-29(44)28(18-25-13-9-6-10-14-25)42-30(45)15-16-38-34(47)27(36)17-24-11-7-5-8-12-24/h5,7-8,11-12,20,22,25,27-29,32,44H,4,6,9-10,13-19,21,36H2,1-3H3,(H,38,47)(H,40,48)(H,42,45)(H,43,46)(H2,37,39,41)/t22-,27-,28-,29-,32-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine Pepsin.


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50010427
PNG
(BOC-Phe-Gly-ACHPA-Ile N-[(4-amino-2-methyl-5-pyrim...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@@H](CC1CCCCC1)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C39H60N8O7/c1-7-24(2)34(37(52)42-22-28-21-41-25(3)44-35(28)40)47-32(49)20-31(48)29(18-26-14-10-8-11-15-26)45-33(50)23-43-36(51)30(19-27-16-12-9-13-17-27)46-38(53)54-39(4,5)6/h9,12-13,16-17,21,24,26,29-31,34,48H,7-8,10-11,14-15,18-20,22-23H2,1-6H3,(H,42,52)(H,43,51)(H,45,50)(H,46,53)(H,47,49)(H2,40,41,44)/t24-,29+,30+,31-,34-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against human renin


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50010425
PNG
(BOC-Phe-Gly-Leu-psi[CHOHCH2]Gly-Ile N-[(4-amino-2-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C40H64N8O7/c1-11-25(6)34(38(53)43-21-28-20-42-26(7)45-35(28)41)48-36(51)29(24(4)5)19-32(49)30(17-23(2)3)46-33(50)22-44-37(52)31(18-27-15-13-12-14-16-27)47-39(54)55-40(8,9)10/h12-16,20,23-25,29-32,34,49H,11,17-19,21-22H2,1-10H3,(H,43,53)(H,44,52)(H,46,50)(H,47,54)(H,48,51)(H2,41,42,45)/t25-,29-,30-,31-,32-,34-/m0/s1
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n/an/a 5.40n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against human renin


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50010408
PNG
(4-Amino-piperidine-1-carboxylic acid {1-[2-(3-{1-[...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(N)CC1)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C41H64N10O6/c1-4-26(2)37(40(56)46-25-30-24-45-27(3)47-38(30)43)50-36(54)23-34(52)32(21-28-11-7-5-8-12-28)48-35(53)15-18-44-39(55)33(22-29-13-9-6-10-14-29)49-41(57)51-19-16-31(42)17-20-51/h6,9-10,13-14,24,26,28,31-34,37,52H,4-5,7-8,11-12,15-23,25,42H2,1-3H3,(H,44,55)(H,46,56)(H,48,53)(H,49,57)(H,50,54)(H2,43,45,47)/t26-,32-,33-,34-,37-/m0/s1
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n/an/a 0.760n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against human renin


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair