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Compile Data Set for Download or QSAR

Found 97 hits with Last Name = 'haber' and Initial = 'e'   
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))
BDBM50021989
PNG
(Ac-His-Pro-Phe-His-ACHPA-Leu-Phe-NH2 | CHEMBL38686...)
Show SMILES CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H74N12O9/c1-33(2)22-42(50(71)63-41(49(55)70)24-36-16-9-5-10-17-36)61-48(69)28-47(68)40(23-35-14-7-4-8-15-35)62-52(73)44(26-38-29-56-31-58-38)64-51(72)43(25-37-18-11-6-12-19-37)65-53(74)46-20-13-21-66(46)54(75)45(60-34(3)67)27-39-30-57-32-59-39/h5-6,9-12,16-19,29-33,35,40-47,68H,4,7-8,13-15,20-28H2,1-3H3,(H2,55,70)(H,56,58)(H,57,59)(H,60,67)(H,61,69)(H,62,73)(H,63,71)(H,64,72)(H,65,74)/t40-,41-,42-,43-,44-,45-,46+,47-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against human plasma renin


J Med Chem 31: 1679-86 (1988)


Article DOI: 10.1021/jm00117a003
BindingDB Entry DOI: 10.7270/Q2NC61TR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022978
PNG
(CHEMBL264339 | Pro-His-Pro-Phe-His-Statine-Ile-Phe...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1)C(=O)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C54H75N13O9/c1-5-33(4)47(53(75)66-48(70)38(55)23-34-14-8-6-9-15-34)65-46(69)27-45(68)40(22-32(2)3)61-51(73)42(25-36-28-56-30-59-36)62-50(72)41(24-35-16-10-7-11-17-35)63-52(74)44-19-13-21-67(44)54(76)43(26-37-29-57-31-60-37)64-49(71)39-18-12-20-58-39/h6-11,14-17,28-33,38-45,47,58,68H,5,12-13,18-27,55H2,1-4H3,(H,56,59)(H,57,60)(H,61,73)(H,62,72)(H,63,74)(H,64,71)(H,65,69)(H,66,70,75)/t33-,38-,39-,40?,41-,42-,43-,44-,45?,47-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency on plasma renin obtained from cats


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022978
PNG
(CHEMBL264339 | Pro-His-Pro-Phe-His-Statine-Ile-Phe...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1)C(=O)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C54H75N13O9/c1-5-33(4)47(53(75)66-48(70)38(55)23-34-14-8-6-9-15-34)65-46(69)27-45(68)40(22-32(2)3)61-51(73)42(25-36-28-56-30-59-36)62-50(72)41(24-35-16-10-7-11-17-35)63-52(74)44-19-13-21-67(44)54(76)43(26-37-29-57-31-60-37)64-49(71)39-18-12-20-58-39/h6-11,14-17,28-33,38-45,47,58,68H,5,12-13,18-27,55H2,1-4H3,(H,56,59)(H,57,60)(H,61,73)(H,62,72)(H,63,74)(H,64,71)(H,65,69)(H,66,70,75)/t33-,38-,39-,40?,41-,42-,43-,44-,45?,47-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency on plasma renin obtained from mongrel dogs


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022002
PNG
(1-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl]-p...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C50H72N10O9/c1-29(2)21-36(42(62)26-43(63)55-38(22-30(3)4)46(65)57-37(45(51)64)23-33-15-10-8-11-16-33)56-49(68)44(31(5)6)59-47(66)39(24-34-17-12-9-13-18-34)58-48(67)41-19-14-20-60(41)50(69)40(54-32(7)61)25-35-27-52-28-53-35/h8-13,15-18,27-31,36-42,44,62H,14,19-26H2,1-7H3,(H2,51,64)(H,52,53)(H,54,61)(H,55,63)(H,56,68)(H,57,65)(H,58,67)(H,59,66)/t36-,37-,38-,39-,40-,41+,42-,44-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against human plasma renin


J Med Chem 31: 1679-86 (1988)


Article DOI: 10.1021/jm00117a003
BindingDB Entry DOI: 10.7270/Q2NC61TR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022977
PNG
(CHEMBL2371846 | Pro-His-Pro-Phe-His-Statine-Ile-Hi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C57H84N16O11/c1-5-34(4)49(55(81)70-44(24-37-28-60-31-64-37)52(78)66-40(57(83)84)15-9-10-18-58)72-48(75)26-47(74)41(21-33(2)3)67-53(79)43(23-36-27-59-30-63-36)68-51(77)42(22-35-13-7-6-8-14-35)69-54(80)46-17-12-20-73(46)56(82)45(25-38-29-61-32-65-38)71-50(76)39-16-11-19-62-39/h6-8,13-14,27-34,39-47,49,62,74H,5,9-12,15-26,58H2,1-4H3,(H,59,63)(H,60,64)(H,61,65)(H,66,78)(H,67,79)(H,68,77)(H,69,80)(H,70,81)(H,71,76)(H,72,75)(H,83,84)/t34-,39-,40-,41-,42-,43-,44-,45-,46-,47-,49-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency on plasma renin obtained from mongrel dogs


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022977
PNG
(CHEMBL2371846 | Pro-His-Pro-Phe-His-Statine-Ile-Hi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C57H84N16O11/c1-5-34(4)49(55(81)70-44(24-37-28-60-31-64-37)52(78)66-40(57(83)84)15-9-10-18-58)72-48(75)26-47(74)41(21-33(2)3)67-53(79)43(23-36-27-59-30-63-36)68-51(77)42(22-35-13-7-6-8-14-35)69-54(80)46-17-12-20-73(46)56(82)45(25-38-29-61-32-65-38)71-50(76)39-16-11-19-62-39/h6-8,13-14,27-34,39-47,49,62,74H,5,9-12,15-26,58H2,1-4H3,(H,59,63)(H,60,64)(H,61,65)(H,66,78)(H,67,79)(H,68,77)(H,69,80)(H,70,81)(H,71,76)(H,72,75)(H,83,84)/t34-,39-,40-,41-,42-,43-,44-,45-,46-,47-,49-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency on plasma renin obtained from hypertensive humans


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022000
PNG
(CHEMBL2371853 | Pro-His-Pro-Phe-His-Statine-Val-Ty...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C59H84N14O12/c1-34(2)24-43(49(75)29-50(76)72-51(35(3)4)57(82)70-45(26-37-17-19-40(74)20-18-37)53(78)66-42(59(84)85)14-8-9-21-60)67-55(80)46(27-38-30-61-32-64-38)68-54(79)44(25-36-12-6-5-7-13-36)69-56(81)48-16-11-23-73(48)58(83)47(28-39-31-62-33-65-39)71-52(77)41-15-10-22-63-41/h5-7,12-13,17-20,30-35,41-49,51,63,74-75H,8-11,14-16,21-29,60H2,1-4H3,(H,61,64)(H,62,65)(H,66,78)(H,67,80)(H,68,79)(H,69,81)(H,70,82)(H,71,77)(H,72,76)(H,84,85)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency on plasma renin obtained from mongrel dogs


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022000
PNG
(CHEMBL2371853 | Pro-His-Pro-Phe-His-Statine-Val-Ty...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C59H84N14O12/c1-34(2)24-43(49(75)29-50(76)72-51(35(3)4)57(82)70-45(26-37-17-19-40(74)20-18-37)53(78)66-42(59(84)85)14-8-9-21-60)67-55(80)46(27-38-30-61-32-64-38)68-54(79)44(25-36-12-6-5-7-13-36)69-56(81)48-16-11-23-73(48)58(83)47(28-39-31-62-33-65-39)71-52(77)41-15-10-22-63-41/h5-7,12-13,17-20,30-35,41-49,51,63,74-75H,8-11,14-16,21-29,60H2,1-4H3,(H,61,64)(H,62,65)(H,66,78)(H,67,80)(H,68,79)(H,69,81)(H,70,82)(H,71,77)(H,72,76)(H,84,85)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022005
PNG
(Ac-His-Pro-Phe-His-Statine-Leu-Phe-NH2 | CHEMBL266...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C51H70N12O9/c1-30(2)19-37(44(65)25-45(66)58-39(20-31(3)4)47(68)60-38(46(52)67)21-33-13-8-6-9-14-33)59-49(70)41(23-35-26-53-28-55-35)61-48(69)40(22-34-15-10-7-11-16-34)62-50(71)43-17-12-18-63(43)51(72)42(57-32(5)64)24-36-27-54-29-56-36/h6-11,13-16,26-31,37-44,65H,12,17-25H2,1-5H3,(H2,52,67)(H,53,55)(H,54,56)(H,57,64)(H,58,66)(H,59,70)(H,60,68)(H,61,69)(H,62,71)/t37-,38-,39-,40-,41-,42-,43+,44-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against human plasma renin


J Med Chem 31: 1679-86 (1988)


Article DOI: 10.1021/jm00117a003
BindingDB Entry DOI: 10.7270/Q2NC61TR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022007
PNG
(1-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl]-p...)
Show SMILES CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C53H76N10O9/c1-32(2)24-41(49(68)60-40(48(54)67)26-36-18-11-7-12-19-36)58-46(66)29-45(65)39(25-35-16-9-6-10-17-35)59-52(71)47(33(3)4)62-50(69)42(27-37-20-13-8-14-21-37)61-51(70)44-22-15-23-63(44)53(72)43(57-34(5)64)28-38-30-55-31-56-38/h7-8,11-14,18-21,30-33,35,39-45,47,65H,6,9-10,15-17,22-29H2,1-5H3,(H2,54,67)(H,55,56)(H,57,64)(H,58,66)(H,59,71)(H,60,68)(H,61,70)(H,62,69)/t39-,40-,41-,42-,43-,44+,45-,47-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against human plasma renin


J Med Chem 31: 1679-86 (1988)


Article DOI: 10.1021/jm00117a003
BindingDB Entry DOI: 10.7270/Q2NC61TR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022988
PNG
(CHEMBL410352 | Pro-Trp(CHO)-Pro-Phe-His-Statine-Il...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cn(C=O)c2ccccc12)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(N)=O
Show InChI InChI=1S/C63H79N13O11/c1-5-38(4)56(62(86)69-47(57(64)81)27-40-32-74(35-77)51-20-11-9-17-43(40)51)73-55(80)30-54(79)46(25-37(2)3)68-60(84)49(29-42-31-65-34-67-42)70-59(83)48(26-39-15-7-6-8-16-39)71-61(85)53-22-14-24-76(53)63(87)50(72-58(82)45-19-13-23-66-45)28-41-33-75(36-78)52-21-12-10-18-44(41)52/h6-12,15-18,20-21,31-38,45-50,53-54,56,66,79H,5,13-14,19,22-30H2,1-4H3,(H2,64,81)(H,65,67)(H,68,84)(H,69,86)(H,70,83)(H,71,85)(H,72,82)(H,73,80)/t38-,45-,46?,47-,48-,49-,50-,53-,54?,56-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022996
PNG
(CHEMBL412841 | acetyl-Pro-His-Pro-Phe-His-Statine-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C59H86N16O12/c1-6-35(4)51(57(84)71-45(25-39-29-62-32-65-39)53(80)67-41(59(86)87)16-10-11-19-60)73-50(78)27-49(77)42(22-34(2)3)68-54(81)44(24-38-28-61-31-64-38)69-52(79)43(23-37-14-8-7-9-15-37)70-56(83)48-18-13-21-75(48)58(85)46(26-40-30-63-33-66-40)72-55(82)47-17-12-20-74(47)36(5)76/h7-9,14-15,28-35,41-49,51,77H,6,10-13,16-27,60H2,1-5H3,(H,61,64)(H,62,65)(H,63,66)(H,67,80)(H,68,81)(H,69,79)(H,70,83)(H,71,84)(H,72,82)(H,73,78)(H,86,87)/t35-,41-,42?,43-,44-,45-,46-,47-,48-,49?,51-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022980
PNG
(CHEMBL2371845 | Pro-Trp(CHO)-Pro-Phe-His-4(S)amino...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cn(C=O)c2ccccc12)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(N)=O
Show InChI InChI=1S/C66H77N13O10/c1-3-41(2)58(65(88)72-51(59(67)82)32-44-36-77(39-80)55-26-12-10-22-47(44)55)76-61(84)50(24-14-21-42-17-6-4-7-18-42)71-63(86)53(34-46-35-68-38-70-46)73-62(85)52(31-43-19-8-5-9-20-43)74-64(87)57-28-16-30-79(57)66(89)54(75-60(83)49-25-15-29-69-49)33-45-37-78(40-81)56-27-13-11-23-48(45)56/h4-13,17-20,22-23,26-27,35-41,49-54,57-58,69H,3,14-16,21,24-25,28-34H2,1-2H3,(H2,67,82)(H,68,70)(H,71,86)(H,72,88)(H,73,85)(H,74,87)(H,75,83)(H,76,84)/t41-,49-,50-,51-,52-,53-,54-,57-,58-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50405543
PNG
(CHEMBL2028952)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](CCCc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1/C62H83N15O10/c1-38(2)53(61(86)74-49(31-41-23-25-44(78)26-24-41)57(82)70-45(54(64)79)19-9-10-27-63)76-56(81)47(20-11-18-39-14-5-3-6-15-39)71-59(84)50(32-42-34-65-36-68-42)72-58(83)48(30-40-16-7-4-8-17-40)73-60(85)52-22-13-29-77(52)62(87)51(33-43-35-66-37-69-43)75-55(80)46-21-12-28-67-46/h3-8,14-17,23-26,34-38,45-53,67,78H,9-13,18-22,27-33,63H2,1-2H3,(H2,64,79)(H,65,68)(H,66,69)(H,70,82)(H,71,84)(H,72,83)(H,73,85)(H,74,86)(H,75,80)(H,76,81)/t45-,46-,47+,48-,49-,50-,51-,52-,53-/s2
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n/an/a 27n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022993
PNG
(CHEMBL2371843 | Pro-Trp(CHO)-Pro-Trp(CHO)-His-4(S)...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1cn(C=O)c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cn(C=O)c2ccccc12)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C66H77N13O10/c1-3-41(2)58(65(88)72-51(59(67)82)31-43-19-8-5-9-20-43)76-61(84)50(24-14-21-42-17-6-4-7-18-42)71-63(86)53(34-46-35-68-38-70-46)73-62(85)52(32-44-36-77(39-80)55-26-12-10-22-47(44)55)74-64(87)57-28-16-30-79(57)66(89)54(75-60(83)49-25-15-29-69-49)33-45-37-78(40-81)56-27-13-11-23-48(45)56/h4-13,17-20,22-23,26-27,35-41,49-54,57-58,69H,3,14-16,21,24-25,28-34H2,1-2H3,(H2,67,82)(H,68,70)(H,71,86)(H,72,88)(H,73,85)(H,74,87)(H,75,83)(H,76,84)/t41-,49-,50-,51-,52-,53-,54-,57-,58-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022991
PNG
(CHEMBL2371848 | Pro-His-Pro-Phe-His-4(S)amino-3(s)...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C57H73N13O8/c1-3-36(2)49(56(77)65-44(50(58)71)28-38-18-9-5-10-19-38)69-52(73)43(23-13-22-37-16-7-4-8-17-37)64-54(75)46(30-40-32-59-34-62-40)66-53(74)45(29-39-20-11-6-12-21-39)67-55(76)48-25-15-27-70(48)57(78)47(31-41-33-60-35-63-41)68-51(72)42-24-14-26-61-42/h4-12,16-21,32-36,42-49,61H,3,13-15,22-31H2,1-2H3,(H2,58,71)(H,59,62)(H,60,63)(H,64,75)(H,65,77)(H,66,74)(H,67,76)(H,68,72)(H,69,73)/t36-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022981
PNG
(CHEMBL412209 | Pro-his-Pro-Phe-Phe-Statine-Ile-Phe...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC(O)C(CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1)C(=O)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C57H77N11O9/c1-5-36(4)50(56(76)67-51(71)41(58)28-37-17-9-6-10-18-37)66-49(70)32-48(69)43(27-35(2)3)62-53(73)44(29-38-19-11-7-12-20-38)63-54(74)45(30-39-21-13-8-14-22-39)64-55(75)47-24-16-26-68(47)57(77)46(31-40-33-59-34-61-40)65-52(72)42-23-15-25-60-42/h6-14,17-22,33-36,41-48,50,60,69H,5,15-16,23-32,58H2,1-4H3,(H,59,61)(H,62,73)(H,63,74)(H,64,75)(H,65,72)(H,66,70)(H,67,71,76)/t36-,41-,42-,43?,44-,45-,46-,47-,48?,50-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50405544
PNG
(CHEMBL2028954)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(C)=O
Show InChI InChI=1/C61H84N16O9/c1-4-38(2)53(60(85)74-50(30-43-33-64-36-68-43)57(82)70-45(39(3)78)21-11-12-25-62)76-55(80)47(22-13-20-40-16-7-5-8-17-40)71-58(83)49(29-42-32-63-35-67-42)72-56(81)48(28-41-18-9-6-10-19-41)73-59(84)52-24-15-27-77(52)61(86)51(31-44-34-65-37-69-44)75-54(79)46-23-14-26-66-46/h5-10,16-19,32-38,45-53,66H,4,11-15,20-31,62H2,1-3H3,(H,63,67)(H,64,68)(H,65,69)(H,70,82)(H,71,83)(H,72,81)(H,73,84)(H,74,85)(H,75,79)(H,76,80)/t38-,45-,46-,47-,48-,49-,50-,51-,52-,53-/s2
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50022002
PNG
(1-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl]-p...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C50H72N10O9/c1-29(2)21-36(42(62)26-43(63)55-38(22-30(3)4)46(65)57-37(45(51)64)23-33-15-10-8-11-16-33)56-49(68)44(31(5)6)59-47(66)39(24-34-17-12-9-13-18-34)58-48(67)41-19-14-20-60(41)50(69)40(54-32(7)61)25-35-27-52-28-53-35/h8-13,15-18,27-31,36-42,44,62H,14,19-26H2,1-7H3,(H2,51,64)(H,52,53)(H,54,61)(H,55,63)(H,56,68)(H,57,65)(H,58,67)(H,59,66)/t36-,37-,38-,39-,40-,41+,42-,44-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibitory activity against rat plasma renin in vitro.


J Med Chem 31: 1679-86 (1988)


Article DOI: 10.1021/jm00117a003
BindingDB Entry DOI: 10.7270/Q2NC61TR
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50022007
PNG
(1-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl]-p...)
Show SMILES CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C53H76N10O9/c1-32(2)24-41(49(68)60-40(48(54)67)26-36-18-11-7-12-19-36)58-46(66)29-45(65)39(25-35-16-9-6-10-17-35)59-52(71)47(33(3)4)62-50(69)42(27-37-20-13-8-14-21-37)61-51(70)44-22-15-23-63(44)53(72)43(57-34(5)64)28-38-30-55-31-56-38/h7-8,11-14,18-21,30-33,35,39-45,47,65H,6,9-10,15-17,22-29H2,1-5H3,(H2,54,67)(H,55,56)(H,57,64)(H,58,66)(H,59,71)(H,60,68)(H,61,70)(H,62,69)/t39-,40-,41-,42-,43-,44+,45-,47-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibitory activity against rat plasma renin in vitro.


J Med Chem 31: 1679-86 (1988)


Article DOI: 10.1021/jm00117a003
BindingDB Entry DOI: 10.7270/Q2NC61TR
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50021993
PNG
(1-[2-Acetylamino-3-(4-methoxy-phenyl)-propionyl]-p...)
Show SMILES COc1ccc(C[C@H](NC(C)=O)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1
Show InChI InChI=1S/C54H76N8O10/c1-32(2)26-40(46(64)31-47(65)57-42(27-33(3)4)50(67)59-41(49(55)66)28-36-16-11-9-12-17-36)58-53(70)48(34(5)6)61-51(68)43(29-37-18-13-10-14-19-37)60-52(69)45-20-15-25-62(45)54(71)44(56-35(7)63)30-38-21-23-39(72-8)24-22-38/h9-14,16-19,21-24,32-34,40-46,48,64H,15,20,25-31H2,1-8H3,(H2,55,66)(H,56,63)(H,57,65)(H,58,70)(H,59,67)(H,60,69)(H,61,68)/t40-,41-,42-,43-,44-,45+,46-,48-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibitory activity against rat plasma renin in vitro.


J Med Chem 31: 1679-86 (1988)


Article DOI: 10.1021/jm00117a003
BindingDB Entry DOI: 10.7270/Q2NC61TR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022000
PNG
(CHEMBL2371853 | Pro-His-Pro-Phe-His-Statine-Val-Ty...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C59H84N14O12/c1-34(2)24-43(49(75)29-50(76)72-51(35(3)4)57(82)70-45(26-37-17-19-40(74)20-18-37)53(78)66-42(59(84)85)14-8-9-21-60)67-55(80)46(27-38-30-61-32-64-38)68-54(79)44(25-36-12-6-5-7-13-36)69-56(81)48-16-11-23-73(48)58(83)47(28-39-31-62-33-65-39)71-52(77)41-15-10-22-63-41/h5-7,12-13,17-20,30-35,41-49,51,63,74-75H,8-11,14-16,21-29,60H2,1-4H3,(H,61,64)(H,62,65)(H,66,78)(H,67,80)(H,68,79)(H,69,81)(H,70,82)(H,71,77)(H,72,76)(H,84,85)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency on plasma renin obtained from hypertensive humans


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022986
PNG
(Acetyl-Pro-Phe-His-Statine-Ile-His-Lys | CHEMBL408...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C48H72N12O10/c1-6-29(4)42(47(68)58-38(22-33-25-51-27-53-33)44(65)54-34(48(69)70)15-10-11-17-49)59-41(63)23-40(62)35(19-28(2)3)55-45(66)37(21-32-24-50-26-52-32)56-43(64)36(20-31-13-8-7-9-14-31)57-46(67)39-16-12-18-60(39)30(5)61/h7-9,13-14,24-29,34-40,42,62H,6,10-12,15-23,49H2,1-5H3,(H,50,52)(H,51,53)(H,54,65)(H,55,66)(H,56,64)(H,57,67)(H,58,68)(H,59,63)(H,69,70)/t29-,34-,35?,36-,37-,38-,39-,40?,42-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50022021
PNG
(1-(2-Acetylamino-3-phenyl-propionyl)-pyrrolidine-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C53H74N8O9/c1-32(2)26-39(45(63)31-46(64)56-41(27-33(3)4)49(66)58-40(48(54)65)28-36-18-11-8-12-19-36)57-52(69)47(34(5)6)60-50(67)42(29-37-20-13-9-14-21-37)59-51(68)44-24-17-25-61(44)53(70)43(55-35(7)62)30-38-22-15-10-16-23-38/h8-16,18-23,32-34,39-45,47,63H,17,24-31H2,1-7H3,(H2,54,65)(H,55,62)(H,56,64)(H,57,69)(H,58,66)(H,59,68)(H,60,67)/t39-,40-,41-,42-,43-,44+,45-,47-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibitory activity against rat plasma renin in vitro.


J Med Chem 31: 1679-86 (1988)


Article DOI: 10.1021/jm00117a003
BindingDB Entry DOI: 10.7270/Q2NC61TR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50405542
PNG
(CHEMBL2028955)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(C)=O
Show InChI InChI=1/C52H72N12O8/c1-5-33(2)46(52(72)62-44(28-39-30-55-32-57-39)49(69)58-40(34(3)65)21-12-13-24-53)63-47(67)41(22-14-20-36-16-8-6-9-17-36)59-50(70)43(27-38-29-54-31-56-38)60-48(68)42(26-37-18-10-7-11-19-37)61-51(71)45-23-15-25-64(45)35(4)66/h6-11,16-19,29-33,40-46H,5,12-15,20-28,53H2,1-4H3,(H,54,56)(H,55,57)(H,58,69)(H,59,70)(H,60,68)(H,61,71)(H,62,72)(H,63,67)/t33-,40-,41-,42-,43-,44-,45-,46-/s2
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n/an/a 46n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022972
PNG
(CHEMBL2371844 | Pro-Trp(CHO)-Pro-Trp(CHO)-His-4(S)...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1cn(C=O)c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cn(C=O)c2ccccc12)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(N)=O
Show InChI InChI=1S/C69H78N14O11/c1-3-42(2)61(68(93)75-53(62(70)87)30-44-35-80(39-84)57-24-10-7-19-48(44)57)79-64(89)52(22-13-18-43-16-5-4-6-17-43)74-66(91)55(33-47-34-71-38-73-47)76-65(90)54(31-45-36-81(40-85)58-25-11-8-20-49(45)58)77-67(92)60-27-15-29-83(60)69(94)56(78-63(88)51-23-14-28-72-51)32-46-37-82(41-86)59-26-12-9-21-50(46)59/h4-12,16-17,19-21,24-26,34-42,51-56,60-61,72H,3,13-15,18,22-23,27-33H2,1-2H3,(H2,70,87)(H,71,73)(H,74,91)(H,75,93)(H,76,90)(H,77,92)(H,78,88)(H,79,89)/t42-,51-,52-,53-,54-,55-,56-,60-,61-/m0/s1
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n/an/a 49n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50021989
PNG
(Ac-His-Pro-Phe-His-ACHPA-Leu-Phe-NH2 | CHEMBL38686...)
Show SMILES CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H74N12O9/c1-33(2)22-42(50(71)63-41(49(55)70)24-36-16-9-5-10-17-36)61-48(69)28-47(68)40(23-35-14-7-4-8-15-35)62-52(73)44(26-38-29-56-31-58-38)64-51(72)43(25-37-18-11-6-12-19-37)65-53(74)46-20-13-21-66(46)54(75)45(60-34(3)67)27-39-30-57-32-59-39/h5-6,9-12,16-19,29-33,35,40-47,68H,4,7-8,13-15,20-28H2,1-3H3,(H2,55,70)(H,56,58)(H,57,59)(H,60,67)(H,61,69)(H,62,73)(H,63,71)(H,64,72)(H,65,74)/t40-,41-,42-,43-,44-,45-,46+,47-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibitory activity against rat plasma renin in vitro.


J Med Chem 31: 1679-86 (1988)


Article DOI: 10.1021/jm00117a003
BindingDB Entry DOI: 10.7270/Q2NC61TR
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50022015
PNG
(1-(2-Acetylamino-3-naphthalen-1-yl-propionyl)-pyrr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cccc2ccccc12)NC(C)=O)C(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C57H76N8O9/c1-34(2)28-43(49(67)33-50(68)60-45(29-35(3)4)53(70)62-44(52(58)69)30-38-18-10-8-11-19-38)61-56(73)51(36(5)6)64-54(71)46(31-39-20-12-9-13-21-39)63-55(72)48-26-17-27-65(48)57(74)47(59-37(7)66)32-41-24-16-23-40-22-14-15-25-42(40)41/h8-16,18-25,34-36,43-49,51,67H,17,26-33H2,1-7H3,(H2,58,69)(H,59,66)(H,60,68)(H,61,73)(H,62,70)(H,63,72)(H,64,71)/t43-,44-,45-,46-,47-,48+,49-,51-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibitory activity against rat plasma renin in vitro.


J Med Chem 31: 1679-86 (1988)


Article DOI: 10.1021/jm00117a003
BindingDB Entry DOI: 10.7270/Q2NC61TR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022978
PNG
(CHEMBL264339 | Pro-His-Pro-Phe-His-Statine-Ile-Phe...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1)C(=O)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C54H75N13O9/c1-5-33(4)47(53(75)66-48(70)38(55)23-34-14-8-6-9-15-34)65-46(69)27-45(68)40(22-32(2)3)61-51(73)42(25-36-28-56-30-59-36)62-50(72)41(24-35-16-10-7-11-17-35)63-52(74)44-19-13-21-67(44)54(76)43(26-37-29-57-31-60-37)64-49(71)39-18-12-20-58-39/h6-11,14-17,28-33,38-45,47,58,68H,5,12-13,18-27,55H2,1-4H3,(H,56,59)(H,57,60)(H,61,73)(H,62,72)(H,63,74)(H,64,71)(H,65,69)(H,66,70,75)/t33-,38-,39-,40?,41-,42-,43-,44-,45?,47-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency on plasma renin obtained from hypertensive humans


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50367761
PNG
(CHEMBL1790252)
Show SMILES CC[C@@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C57H79N13O9/c1-3-35(2)50(56(78)65-43(51(58)73)26-37-17-9-5-10-18-37)69-49(72)30-48(71)42(25-36-15-7-4-8-16-36)64-54(76)45(28-39-31-59-33-62-39)66-53(75)44(27-38-19-11-6-12-20-38)67-55(77)47-22-14-24-70(47)57(79)46(29-40-32-60-34-63-40)68-52(74)41-21-13-23-61-41/h5-6,9-12,17-20,31-36,41-48,50,61,71H,3-4,7-8,13-16,21-30H2,1-2H3,(H2,58,73)(H,59,62)(H,60,63)(H,64,76)(H,65,78)(H,66,75)(H,67,77)(H,68,74)(H,69,72)/t35-,41-,42+,43+,44+,45+,46+,47-,48+,50+/m1/s1
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n/an/a 65n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibitory activity against rat plasma renin in vitro.


J Med Chem 31: 1679-86 (1988)


Article DOI: 10.1021/jm00117a003
BindingDB Entry DOI: 10.7270/Q2NC61TR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022987
PNG
(CHEMBL2371841 | Pro-Trp(CHO)-His-4(S)amino-3(s)-hy...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1cn(C=O)c2ccccc12)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H60N10O7/c1-3-31(2)43(49(66)55-39(44(50)61)24-33-16-8-5-9-17-33)58-46(63)38(20-12-18-32-14-6-4-7-15-32)54-48(65)41(26-35-27-51-29-53-35)57-47(64)40(56-45(62)37-21-13-23-52-37)25-34-28-59(30-60)42-22-11-10-19-36(34)42/h4-11,14-17,19,22,27-31,37-41,43,52H,3,12-13,18,20-21,23-26H2,1-2H3,(H2,50,61)(H,51,53)(H,54,65)(H,55,66)(H,56,62)(H,57,64)(H,58,63)/t31-,37-,38-,39-,40-,41-,43-/m0/s1
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n/an/a 67n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022978
PNG
(CHEMBL264339 | Pro-His-Pro-Phe-His-Statine-Ile-Phe...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1)C(=O)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C54H75N13O9/c1-5-33(4)47(53(75)66-48(70)38(55)23-34-14-8-6-9-15-34)65-46(69)27-45(68)40(22-32(2)3)61-51(73)42(25-36-28-56-30-59-36)62-50(72)41(24-35-16-10-7-11-17-35)63-52(74)44-19-13-21-67(44)54(76)43(26-37-29-57-31-60-37)64-49(71)39-18-12-20-58-39/h6-11,14-17,28-33,38-45,47,58,68H,5,12-13,18-27,55H2,1-4H3,(H,56,59)(H,57,60)(H,61,73)(H,62,72)(H,63,74)(H,64,71)(H,65,69)(H,66,70,75)/t33-,38-,39-,40?,41-,42-,43-,44-,45?,47-/m0/s1
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n/an/a 81n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency on plasma renin obtained from cats


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022000
PNG
(CHEMBL2371853 | Pro-His-Pro-Phe-His-Statine-Val-Ty...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C59H84N14O12/c1-34(2)24-43(49(75)29-50(76)72-51(35(3)4)57(82)70-45(26-37-17-19-40(74)20-18-37)53(78)66-42(59(84)85)14-8-9-21-60)67-55(80)46(27-38-30-61-32-64-38)68-54(79)44(25-36-12-6-5-7-13-36)69-56(81)48-16-11-23-73(48)58(83)47(28-39-31-62-33-65-39)71-52(77)41-15-10-22-63-41/h5-7,12-13,17-20,30-35,41-49,51,63,74-75H,8-11,14-16,21-29,60H2,1-4H3,(H,61,64)(H,62,65)(H,66,78)(H,67,80)(H,68,79)(H,69,81)(H,70,82)(H,71,77)(H,72,76)(H,84,85)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022000
PNG
(CHEMBL2371853 | Pro-His-Pro-Phe-His-Statine-Val-Ty...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C59H84N14O12/c1-34(2)24-43(49(75)29-50(76)72-51(35(3)4)57(82)70-45(26-37-17-19-40(74)20-18-37)53(78)66-42(59(84)85)14-8-9-21-60)67-55(80)46(27-38-30-61-32-64-38)68-54(79)44(25-36-12-6-5-7-13-36)69-56(81)48-16-11-23-73(48)58(83)47(28-39-31-62-33-65-39)71-52(77)41-15-10-22-63-41/h5-7,12-13,17-20,30-35,41-49,51,63,74-75H,8-11,14-16,21-29,60H2,1-4H3,(H,61,64)(H,62,65)(H,66,78)(H,67,80)(H,68,79)(H,69,81)(H,70,82)(H,71,77)(H,72,76)(H,84,85)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency on plasma renin obtained from New Zealand white rabbits


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM31123
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11b)
Show SMILES CCOC(=O)c1c(Cc2ccccc2Cl)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H18ClNO3/c1-2-27-22(26)20-16-12-19(25)14-8-4-5-9-15(14)21(16)24-18(20)11-13-7-3-6-10-17(13)23/h3-10,12,24-25H,2,11H2,1H3
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n/an/a 100n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL1beta induced human A549 cell microsomal membrane assessed as blockade of conversion of PGH2 to PGE2


Bioorg Med Chem 17: 7924-32 (2009)


Article DOI: 10.1016/j.bmc.2009.10.025
BindingDB Entry DOI: 10.7270/Q25T3KK7
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50021994
PNG
(1-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl]-p...)
Show SMILES CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H68N12O9/c1-33(2)22-42(50(71)63-41(49(55)70)24-36-16-9-5-10-17-36)61-48(69)28-47(68)40(23-35-14-7-4-8-15-35)62-52(73)44(26-38-29-56-31-58-38)64-51(72)43(25-37-18-11-6-12-19-37)65-53(74)46-20-13-21-66(46)54(75)45(60-34(3)67)27-39-30-57-32-59-39/h4-12,14-19,29-33,40-47,68H,13,20-28H2,1-3H3,(H2,55,70)(H,56,58)(H,57,59)(H,60,67)(H,61,69)(H,62,73)(H,63,71)(H,64,72)(H,65,74)/t40-,41-,42-,43-,44-,45-,46+,47-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibitory activity against rat plasma renin in vitro.


J Med Chem 31: 1679-86 (1988)


Article DOI: 10.1021/jm00117a003
BindingDB Entry DOI: 10.7270/Q2NC61TR
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50022006
PNG
(Ac-His-Pro-Phe-His-Statine-Leu-CHA-NH2 | CHEMBL217...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C1CCCCC1)C(N)=O
Show InChI InChI=1S/C50H74N12O9/c1-29(2)19-36(42(64)24-43(65)57-37(20-30(3)4)48(69)61-44(45(51)66)33-15-10-7-11-16-33)58-47(68)39(22-34-25-52-27-54-34)59-46(67)38(21-32-13-8-6-9-14-32)60-49(70)41-17-12-18-62(41)50(71)40(56-31(5)63)23-35-26-53-28-55-35/h6,8-9,13-14,25-30,33,36-42,44,64H,7,10-12,15-24H2,1-5H3,(H2,51,66)(H,52,54)(H,53,55)(H,56,63)(H,57,65)(H,58,68)(H,59,67)(H,60,70)(H,61,69)/t36-,37-,38-,39-,40-,41+,42-,44-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibitory activity against rat plasma renin in vitro.


J Med Chem 31: 1679-86 (1988)


Article DOI: 10.1021/jm00117a003
BindingDB Entry DOI: 10.7270/Q2NC61TR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022978
PNG
(CHEMBL264339 | Pro-His-Pro-Phe-His-Statine-Ile-Phe...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1)C(=O)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C54H75N13O9/c1-5-33(4)47(53(75)66-48(70)38(55)23-34-14-8-6-9-15-34)65-46(69)27-45(68)40(22-32(2)3)61-51(73)42(25-36-28-56-30-59-36)62-50(72)41(24-35-16-10-7-11-17-35)63-52(74)44-19-13-21-67(44)54(76)43(26-37-29-57-31-60-37)64-49(71)39-18-12-20-58-39/h6-11,14-17,28-33,38-45,47,58,68H,5,12-13,18-27,55H2,1-4H3,(H,56,59)(H,57,60)(H,61,73)(H,62,72)(H,63,74)(H,64,71)(H,65,69)(H,66,70,75)/t33-,38-,39-,40?,41-,42-,43-,44-,45?,47-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency on plasma renin obtained from hypertensive humans


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM31127
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11f)
Show SMILES CCOC(=O)c1c(Cc2cccc(Br)c2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H18BrNO3/c1-2-27-22(26)20-17-12-19(25)15-8-3-4-9-16(15)21(17)24-18(20)11-13-6-5-7-14(23)10-13/h3-10,12,24-25H,2,11H2,1H3
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Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL1beta induced human A549 cell microsomal membrane assessed as blockade of conversion of PGH2 to PGE2


Bioorg Med Chem 17: 7924-32 (2009)


Article DOI: 10.1016/j.bmc.2009.10.025
BindingDB Entry DOI: 10.7270/Q25T3KK7
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50022005
PNG
(Ac-His-Pro-Phe-His-Statine-Leu-Phe-NH2 | CHEMBL266...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C51H70N12O9/c1-30(2)19-37(44(65)25-45(66)58-39(20-31(3)4)47(68)60-38(46(52)67)21-33-13-8-6-9-14-33)59-49(70)41(23-35-26-53-28-55-35)61-48(69)40(22-34-15-10-7-11-16-34)62-50(71)43-17-12-18-63(43)51(72)42(57-32(5)64)24-36-27-54-29-56-36/h6-11,13-16,26-31,37-44,65H,12,17-25H2,1-5H3,(H2,52,67)(H,53,55)(H,54,56)(H,57,64)(H,58,66)(H,59,70)(H,60,68)(H,61,69)(H,62,71)/t37-,38-,39-,40-,41-,42-,43+,44-/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibitory activity against rat plasma renin in vitro.


J Med Chem 31: 1679-86 (1988)


Article DOI: 10.1021/jm00117a003
BindingDB Entry DOI: 10.7270/Q2NC61TR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022971
PNG
(CHEMBL284701 | Pro-Phe-His-Statine-Ile-Phe-NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C43H61N9O7/c1-5-27(4)38(43(59)52-39(55)31(44)20-28-13-8-6-9-14-28)51-37(54)23-36(53)33(19-26(2)3)48-42(58)35(22-30-24-45-25-47-30)50-41(57)34(21-29-15-10-7-11-16-29)49-40(56)32-17-12-18-46-32/h6-11,13-16,24-27,31-36,38,46,53H,5,12,17-23,44H2,1-4H3,(H,45,47)(H,48,58)(H,49,56)(H,50,57)(H,51,54)(H,52,55,59)/t27-,31-,32-,33?,34-,35-,36?,38-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50022001
PNG
(Ac-His-Pro-Napa-His-Statine-Leu-Phe-NH2 | CHEMBL27...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C55H72N12O9/c1-32(2)21-41(48(69)27-49(70)62-43(22-33(3)4)51(72)64-42(50(56)71)23-35-13-7-6-8-14-35)63-53(74)45(25-38-28-57-30-59-38)65-52(73)44(24-37-17-11-16-36-15-9-10-18-40(36)37)66-54(75)47-19-12-20-67(47)55(76)46(61-34(5)68)26-39-29-58-31-60-39/h6-11,13-18,28-33,41-48,69H,12,19-27H2,1-5H3,(H2,56,71)(H,57,59)(H,58,60)(H,61,68)(H,62,70)(H,63,74)(H,64,72)(H,65,73)(H,66,75)/t41-,42-,43-,44-,45-,46-,47+,48-/m0/s1
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Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibitory activity against rat plasma renin in vitro.


J Med Chem 31: 1679-86 (1988)


Article DOI: 10.1021/jm00117a003
BindingDB Entry DOI: 10.7270/Q2NC61TR
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50022008
PNG
(Ac-His-Pro-Trp-His-Statine-Leu-Phe-NH2 | CHEMBL384...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C53H71N13O9/c1-30(2)18-39(46(68)24-47(69)61-41(19-31(3)4)49(71)63-40(48(54)70)20-33-12-7-6-8-13-33)62-51(73)43(22-35-26-55-28-58-35)64-50(72)42(21-34-25-57-38-15-10-9-14-37(34)38)65-52(74)45-16-11-17-66(45)53(75)44(60-32(5)67)23-36-27-56-29-59-36/h6-10,12-15,25-31,39-46,57,68H,11,16-24H2,1-5H3,(H2,54,70)(H,55,58)(H,56,59)(H,60,67)(H,61,69)(H,62,73)(H,63,71)(H,64,72)(H,65,74)/t39-,40-,41-,42-,43-,44-,45+,46-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibitory activity against rat plasma renin in vitro.


J Med Chem 31: 1679-86 (1988)


Article DOI: 10.1021/jm00117a003
BindingDB Entry DOI: 10.7270/Q2NC61TR
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50022017
PNG
(CHEMBL414537 | Pro-His-Pro-Phe-His-Statine-Leu-Phe...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCCN1)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H75N13O9/c1-32(2)21-39(46(68)27-47(69)61-41(22-33(3)4)50(72)63-40(48(55)70)23-34-13-7-5-8-14-34)62-52(74)43(25-36-28-56-30-59-36)64-51(73)42(24-35-15-9-6-10-16-35)65-53(75)45-18-12-20-67(45)54(76)44(26-37-29-57-31-60-37)66-49(71)38-17-11-19-58-38/h5-10,13-16,28-33,38-46,58,68H,11-12,17-27H2,1-4H3,(H2,55,70)(H,56,59)(H,57,60)(H,61,69)(H,62,74)(H,63,72)(H,64,73)(H,65,75)(H,66,71)/t38-,39+,40+,41+,42+,43+,44+,45-,46+/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibitory activity against rat plasma renin in vitro.


J Med Chem 31: 1679-86 (1988)


Article DOI: 10.1021/jm00117a003
BindingDB Entry DOI: 10.7270/Q2NC61TR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022974
PNG
(CHEMBL2371840 | Pro-Trp(CHO)-His-4(S)amino-3(s)-hy...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1cn(C=O)c2ccccc12)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(N)=O
Show InChI InChI=1S/C52H61N11O8/c1-3-32(2)46(52(71)58-41(47(53)66)23-34-27-62(30-64)44-20-9-7-16-37(34)44)61-49(68)40(18-11-15-33-13-5-4-6-14-33)57-51(70)43(25-36-26-54-29-56-36)60-50(69)42(59-48(67)39-19-12-22-55-39)24-35-28-63(31-65)45-21-10-8-17-38(35)45/h4-10,13-14,16-17,20-21,26-32,39-43,46,55H,3,11-12,15,18-19,22-25H2,1-2H3,(H2,53,66)(H,54,56)(H,57,70)(H,58,71)(H,59,67)(H,60,69)(H,61,68)/t32-,39-,40-,41-,42-,43-,46-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50021996
PNG
(Ac-His-Pro-Phe-His-Statine-Leu-Val-NH2 | CHEMBL295...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C47H70N12O9/c1-26(2)16-33(39(61)21-40(62)54-34(17-27(3)4)45(66)58-41(28(5)6)42(48)63)55-44(65)36(19-31-22-49-24-51-31)56-43(64)35(18-30-12-9-8-10-13-30)57-46(67)38-14-11-15-59(38)47(68)37(53-29(7)60)20-32-23-50-25-52-32/h8-10,12-13,22-28,33-39,41,61H,11,14-21H2,1-7H3,(H2,48,63)(H,49,51)(H,50,52)(H,53,60)(H,54,62)(H,55,65)(H,56,64)(H,57,67)(H,58,66)/t33-,34-,35-,36-,37-,38+,39-,41-/m0/s1
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n/an/a 270n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibitory activity against rat plasma renin in vitro.


J Med Chem 31: 1679-86 (1988)


Article DOI: 10.1021/jm00117a003
BindingDB Entry DOI: 10.7270/Q2NC61TR
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50022014
PNG
(1-(2-Acetylamino-2-cyclohexyl-acetyl)-pyrrolidine-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(C)=O)C1CCCCC1)C(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C52H78N8O9/c1-31(2)26-38(43(62)30-44(63)55-40(27-32(3)4)48(65)57-39(47(53)64)28-35-18-11-8-12-19-35)56-51(68)45(33(5)6)59-49(66)41(29-36-20-13-9-14-21-36)58-50(67)42-24-17-25-60(42)52(69)46(54-34(7)61)37-22-15-10-16-23-37/h8-9,11-14,18-21,31-33,37-43,45-46,62H,10,15-17,22-30H2,1-7H3,(H2,53,64)(H,54,61)(H,55,63)(H,56,68)(H,57,65)(H,58,67)(H,59,66)/t38-,39-,40-,41-,42+,43-,45-,46-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibitory activity against rat plasma renin in vitro.


J Med Chem 31: 1679-86 (1988)


Article DOI: 10.1021/jm00117a003
BindingDB Entry DOI: 10.7270/Q2NC61TR
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50021997
PNG
(1-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl]-p...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C51H74N10O9/c1-30(2)21-37(44(63)27-45(64)56-39(22-31(3)4)47(66)58-38(46(52)65)24-34-15-10-8-11-16-34)57-48(67)40(23-32(5)6)59-49(68)41(25-35-17-12-9-13-18-35)60-50(69)43-19-14-20-61(43)51(70)42(55-33(7)62)26-36-28-53-29-54-36/h8-13,15-18,28-32,37-44,63H,14,19-27H2,1-7H3,(H2,52,65)(H,53,54)(H,55,62)(H,56,64)(H,57,67)(H,58,66)(H,59,68)(H,60,69)/t37-,38-,39-,40-,41-,42-,43+,44-/m0/s1
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n/an/a 310n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibitory activity against rat plasma renin in vitro.


J Med Chem 31: 1679-86 (1988)


Article DOI: 10.1021/jm00117a003
BindingDB Entry DOI: 10.7270/Q2NC61TR
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50367760
PNG
(CHEMBL2367544)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C57H73N13O9/c1-3-35(2)50(56(78)65-43(51(58)73)26-37-17-9-5-10-18-37)69-49(72)30-48(71)42(25-36-15-7-4-8-16-36)64-54(76)45(28-39-31-59-33-62-39)66-53(75)44(27-38-19-11-6-12-20-38)67-55(77)47-22-14-24-70(47)57(79)46(29-40-32-60-34-63-40)68-52(74)41-21-13-23-61-41/h4-12,15-20,31-35,41-48,50,61,71H,3,13-14,21-30H2,1-2H3,(H2,58,73)(H,59,62)(H,60,63)(H,64,76)(H,65,78)(H,66,75)(H,67,77)(H,68,74)(H,69,72)/t35-,41+,42-,43-,44-,45-,46-,47+,48-,50-/m0/s1
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n/an/a 370n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibitory activity against rat plasma renin in vitro.


J Med Chem 31: 1679-86 (1988)


Article DOI: 10.1021/jm00117a003
BindingDB Entry DOI: 10.7270/Q2NC61TR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022990
PNG
(CHEMBL406168 | His-Pro-Phe-His-Statine-Val-Tyr-Lys)
Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1cnc[nH]1)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C54H77N13O11/c1-31(2)21-40(45(69)26-46(70)66-47(32(3)4)52(75)65-42(23-34-15-17-37(68)18-16-34)48(71)61-39(54(77)78)13-8-9-19-55)62-50(73)43(25-36-28-58-30-60-36)63-49(72)41(22-33-11-6-5-7-12-33)64-51(74)44-14-10-20-67(44)53(76)38(56)24-35-27-57-29-59-35/h5-7,11-12,15-18,27-32,38-45,47,68-69H,8-10,13-14,19-26,55-56H2,1-4H3,(H,57,59)(H,58,60)(H,61,71)(H,62,73)(H,63,72)(H,64,74)(H,65,75)(H,66,70)(H,77,78)/t38-,39-,40?,41-,42-,43-,44-,45?,47-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
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