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PubMed code 3275777

Compile data set for download or QSAR
Found 34 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Renin


(Homo sapiens (human))
BDBM50022835
PNG
(Ac-Ftr-Pro-Phe-His-Sta-Ile-NH2 | CHEMBL419531)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC(O)[C@H](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(C)=O)C(N)=O
Show InChI InChI=1S/C48H64N10O9/c1-6-29(4)43(44(49)63)56-42(62)23-41(61)35(19-28(2)3)53-46(65)37(22-33-24-50-26-51-33)54-45(64)36(20-31-13-8-7-9-14-31)55-47(66)40-17-12-18-58(40)48(67)38(52-30(5)60)21-32-25-57(27-59)39-16-11-10-15-34(32)39/h7-11,13-16,24-29,35-38,40-41,43,61H,6,12,17-23H2,1-5H3,(H2,49,63)(H,50,51)(H,52,60)(H,53,65)(H,54,64)(H,55,66)(H,56,62)/t29-,35-,36-,37-,38-,40-,41?,43-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50368278
PNG
(CHEMBL1790497)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1
Show InChI InChI=1S/C50H75N9O8/c1-11-33(6)43(47(64)53-29-35-20-15-16-22-52-35)57-44(61)37(32(4)5)27-42(60)38(24-31(2)3)55-46(63)41(26-36-28-51-30-54-36)58(10)48(65)39(25-34-18-13-12-14-19-34)56-45(62)40-21-17-23-59(40)49(66)67-50(7,8)9/h12-16,18-20,22,28,30-33,37-43,60H,11,17,21,23-27,29H2,1-10H3,(H,51,54)(H,53,64)(H,55,63)(H,56,62)(H,57,61)/t33-,37-,38-,39-,40-,41-,42-,43-/m0/s1
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n/an/a 0.110n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022861
PNG
(Ac-Ftr-Pro-Phe-His-Leu(psi)[CH(OH)CH2]Val-NH2 | CH...)
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](Cc1cn(C=O)c2ccccc12)NC(C)=O)C(O)C[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C46H61N9O8/c1-27(2)18-35(41(58)22-34(28(3)4)42(47)59)51-44(61)37(21-32-23-48-25-49-32)52-43(60)36(19-30-12-7-6-8-13-30)53-45(62)40-16-11-17-55(40)46(63)38(50-29(5)57)20-31-24-54(26-56)39-15-10-9-14-33(31)39/h6-10,12-15,23-28,34-38,40-41,58H,11,16-22H2,1-5H3,(H2,47,59)(H,48,49)(H,50,57)(H,51,61)(H,52,60)(H,53,62)/t34-,35-,36-,37-,38-,40-,41?/m0/s1
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n/an/a 0.310n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022846
PNG
(Ac-Ftr-Pro-Phe-His-Sta-Val-Ftr-NH2 | CHEMBL275711)
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](Cc1cn(C=O)c2ccccc12)NC(C)=O)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(N)=O
Show InChI InChI=1S/C59H72N12O11/c1-34(2)22-43(51(75)27-52(76)68-53(35(3)4)58(81)65-44(54(60)77)24-38-29-69(32-72)48-18-11-9-16-41(38)48)64-56(79)46(26-40-28-61-31-62-40)66-55(78)45(23-37-14-7-6-8-15-37)67-57(80)50-20-13-21-71(50)59(82)47(63-36(5)74)25-39-30-70(33-73)49-19-12-10-17-42(39)49/h6-12,14-19,28-35,43-47,50-51,53,75H,13,20-27H2,1-5H3,(H2,60,77)(H,61,62)(H,63,74)(H,64,79)(H,65,81)(H,66,78)(H,67,80)(H,68,76)/t43?,44-,45-,46-,47-,50-,51?,53-/m0/s1
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n/an/a 0.380n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022845
PNG
(Ac-Ftr-Pro-Phe-His-Sta-Val-NH2 | CHEMBL318388)
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](Cc1cn(C=O)c2ccccc12)NC(C)=O)C(O)CC(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C47H62N10O9/c1-27(2)18-34(40(60)22-41(61)55-42(28(3)4)43(48)62)52-45(64)36(21-32-23-49-25-50-32)53-44(63)35(19-30-12-7-6-8-13-30)54-46(65)39-16-11-17-57(39)47(66)37(51-29(5)59)20-31-24-56(26-58)38-15-10-9-14-33(31)38/h6-10,12-15,23-28,34-37,39-40,42,60H,11,16-22H2,1-5H3,(H2,48,62)(H,49,50)(H,51,59)(H,52,64)(H,53,63)(H,54,65)(H,55,61)/t34?,35-,36-,37-,39-,40?,42-/m0/s1
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n/an/a 0.530n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022836
PNG
(CGP-2928 | CHEMBL216847 | Z-Arg-Arg-Pro-Phe-His-St...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(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](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC
Show InChI InChI=1S/C71H108N20O15/c1-9-43(4)56(63(98)88-54(36-47-38-77-41-82-47)60(95)84-50(66(101)104-8)25-16-17-29-80-69(102)106-71(5,6)7)90-64(99)57(92)51(33-42(2)3)85-61(96)53(35-46-37-76-40-81-46)86-59(94)52(34-44-21-12-10-13-22-44)87-62(97)55-28-20-32-91(55)65(100)49(27-19-31-79-68(74)75)83-58(93)48(26-18-30-78-67(72)73)89-70(103)105-39-45-23-14-11-15-24-45/h10-15,21-24,37-38,40-43,48-57,92H,9,16-20,25-36,39H2,1-8H3,(H,76,81)(H,77,82)(H,80,102)(H,83,93)(H,84,95)(H,85,96)(H,86,94)(H,87,97)(H,88,98)(H,89,103)(H,90,99)(H4,72,73,78)(H4,74,75,79)/t43-,48-,49-,50-,51?,52-,53-,54-,55-,56-,57?/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022844
PNG
(Ac-Trp-Pro-Phe-His-Sta-Ile-NH2 | CHEMBL317280)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(N)=O
Show InChI InChI=1S/C47H64N10O8/c1-6-28(4)42(43(48)61)56-41(60)23-40(59)35(19-27(2)3)53-45(63)37(22-32-25-49-26-51-32)54-44(62)36(20-30-13-8-7-9-14-30)55-46(64)39-17-12-18-57(39)47(65)38(52-29(5)58)21-31-24-50-34-16-11-10-15-33(31)34/h7-11,13-16,24-28,35-40,42,50,59H,6,12,17-23H2,1-5H3,(H2,48,61)(H,49,51)(H,52,58)(H,53,63)(H,54,62)(H,55,64)(H,56,60)/t28-,35-,36-,37-,38-,39-,40?,42-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022847
PNG
(Ac-Ftr-Pro-Phe-His-Sta-Ftr-NH2 | CHEMBL100924)
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](Cc1cn(C=O)c2ccccc12)NC(C)=O)C(O)CC(N)=O
Show InChI InChI=1S/C42H53N9O8/c1-25(2)16-31(37(54)20-38(43)55)47-40(57)33(19-29-21-44-23-45-29)48-39(56)32(17-27-10-5-4-6-11-27)49-41(58)36-14-9-15-51(36)42(59)34(46-26(3)53)18-28-22-50(24-52)35-13-8-7-12-30(28)35/h4-8,10-13,21-25,31-34,36-37,54H,9,14-20H2,1-3H3,(H2,43,55)(H,44,45)(H,46,53)(H,47,57)(H,48,56)(H,49,58)/t31?,32-,33-,34-,36-,37?/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50022846
PNG
(Ac-Ftr-Pro-Phe-His-Sta-Val-Ftr-NH2 | CHEMBL275711)
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](Cc1cn(C=O)c2ccccc12)NC(C)=O)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(N)=O
Show InChI InChI=1S/C59H72N12O11/c1-34(2)22-43(51(75)27-52(76)68-53(35(3)4)58(81)65-44(54(60)77)24-38-29-69(32-72)48-18-11-9-16-41(38)48)64-56(79)46(26-40-28-61-31-62-40)66-55(78)45(23-37-14-7-6-8-15-37)67-57(80)50-20-13-21-71(50)59(82)47(63-36(5)74)25-39-30-70(33-73)49-19-12-10-17-42(39)49/h6-12,14-19,28-35,43-47,50-51,53,75H,13,20-27H2,1-5H3,(H2,60,77)(H,61,62)(H,63,74)(H,64,79)(H,65,81)(H,66,78)(H,67,80)(H,68,76)/t43?,44-,45-,46-,47-,50-,51?,53-/m0/s1
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n/an/a 4.90n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards porcine kidney renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022841
PNG
(Ac-His-Pro-Phe-His-Sta-Ile-NH2 | CHEMBL329933)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC(O)[C@H](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(C)=O)C(N)=O
Show InChI InChI=1S/C42H61N11O8/c1-6-25(4)37(38(43)57)52-36(56)19-35(55)30(15-24(2)3)49-40(59)32(17-28-20-44-22-46-28)50-39(58)31(16-27-11-8-7-9-12-27)51-41(60)34-13-10-14-53(34)42(61)33(48-26(5)54)18-29-21-45-23-47-29/h7-9,11-12,20-25,30-35,37,55H,6,10,13-19H2,1-5H3,(H2,43,57)(H,44,46)(H,45,47)(H,48,54)(H,49,59)(H,50,58)(H,51,60)(H,52,56)/t25-,30-,31-,32-,33-,34-,35?,37-/m0/s1
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n/an/a 6.80n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022859
PNG
(CHEMBL407670 | Pro-His-Pro-Phe-His-Leu[CH2NH]Val-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@H](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(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C60H91N17O10/c1-7-37(6)51(58(84)74-47(26-40-29-63-33-68-40)55(81)71-44(60(86)87)17-11-12-20-61)76-57(83)50(36(4)5)66-31-42(23-35(2)3)70-53(79)46(25-39-28-62-32-67-39)72-54(80)45(24-38-15-9-8-10-16-38)73-56(82)49-19-14-22-77(49)59(85)48(27-41-30-64-34-69-41)75-52(78)43-18-13-21-65-43/h8-10,15-16,28-30,32-37,42-51,65-66H,7,11-14,17-27,31,61H2,1-6H3,(H,62,67)(H,63,68)(H,64,69)(H,70,79)(H,71,81)(H,72,80)(H,73,82)(H,74,84)(H,75,78)(H,76,83)(H,86,87)/t37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022860
PNG
(Ac-D-Ftr-Pro-Phe-His-Sta-Ile-NH2 | CHEMBL330412)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC(O)[C@H](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(C)=O)C(N)=O
Show InChI InChI=1S/C48H64N10O9/c1-6-29(4)43(44(49)63)56-42(62)23-41(61)35(19-28(2)3)53-46(65)37(22-33-24-50-26-51-33)54-45(64)36(20-31-13-8-7-9-14-31)55-47(66)40-17-12-18-58(40)48(67)38(52-30(5)60)21-32-25-57(27-59)39-16-11-10-15-34(32)39/h7-11,13-16,24-29,35-38,40-41,43,61H,6,12,17-23H2,1-5H3,(H2,49,63)(H,50,51)(H,52,60)(H,53,65)(H,54,64)(H,55,66)(H,56,62)/t29-,35-,36-,37-,38+,40-,41?,43-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022837
PNG
(CHEMBL437836 | Iva--His-Pro-Phe-His-Sta-Leu-Phe-NH...)
Show SMILES CCC(C)(N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H77N13O9/c1-7-54(6,56)53(76)66-43(26-37-29-58-31-60-37)52(75)67-20-14-19-44(67)51(74)65-41(24-35-17-12-9-13-18-35)49(72)64-42(25-36-28-57-30-59-36)50(73)62-38(21-32(2)3)45(68)27-46(69)61-40(22-33(4)5)48(71)63-39(47(55)70)23-34-15-10-8-11-16-34/h8-13,15-18,28-33,38-45,68H,7,14,19-27,56H2,1-6H3,(H2,55,70)(H,57,59)(H,58,60)(H,61,69)(H,62,73)(H,63,71)(H,64,72)(H,65,74)(H,66,76)/t38?,39-,40-,41-,42-,43-,44-,45?,54?/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022840
PNG
(Ac-Ftr-Pro-Phe-His-Leu(psi)[CH2NH]Val-NH2 | CHEMBL...)
Show SMILES CC(C)C[C@@H](CN[C@@H](C(C)C)C(N)=O)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(C)=O
Show InChI InChI=1S/C45H60N10O7/c1-27(2)18-33(23-48-40(28(3)4)41(46)58)51-42(59)36(21-32-22-47-25-49-32)52-43(60)35(19-30-12-7-6-8-13-30)53-44(61)39-16-11-17-55(39)45(62)37(50-29(5)57)20-31-24-54(26-56)38-15-10-9-14-34(31)38/h6-10,12-15,22,24-28,33,35-37,39-40,48H,11,16-21,23H2,1-5H3,(H2,46,58)(H,47,49)(H,50,57)(H,51,59)(H,52,60)(H,53,61)/t33-,35-,36-,37-,39-,40-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50022837
PNG
(CHEMBL437836 | Iva--His-Pro-Phe-His-Sta-Leu-Phe-NH...)
Show SMILES CCC(C)(N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H77N13O9/c1-7-54(6,56)53(76)66-43(26-37-29-58-31-60-37)52(75)67-20-14-19-44(67)51(74)65-41(24-35-17-12-9-13-18-35)49(72)64-42(25-36-28-57-30-59-36)50(73)62-38(21-32(2)3)45(68)27-46(69)61-40(22-33(4)5)48(71)63-39(47(55)70)23-34-15-10-8-11-16-34/h8-13,15-18,28-33,38-45,68H,7,14,19-27,56H2,1-6H3,(H2,55,70)(H,57,59)(H,58,60)(H,61,69)(H,62,73)(H,63,71)(H,64,72)(H,65,74)(H,66,76)/t38?,39-,40-,41-,42-,43-,44-,45?,54?/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards porcine kidney renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022853
PNG
(Ac-Pro-Phe-His-Sta-Ile-NH2 | CHEMBL329982)
Show SMILES CCC(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(N)=O
Show InChI InChI=1S/C35H52N8O7/c1-5-22(4)31(32(36)47)42-30(46)17-29(45)25(14-21(2)3)39-34(49)27(16-24-18-37-19-38-24)40-33(48)26(15-23-10-7-6-8-11-23)41-35(50)28-12-9-13-43(28)20-44/h6-8,10-11,18-22,25-29,31,45H,5,9,12-17H2,1-4H3,(H2,36,47)(H,37,38)(H,39,49)(H,40,48)(H,41,50)(H,42,46)/t22?,25?,26-,27-,28-,29?,31-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50022835
PNG
(Ac-Ftr-Pro-Phe-His-Sta-Ile-NH2 | CHEMBL419531)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC(O)[C@H](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(C)=O)C(N)=O
Show InChI InChI=1S/C48H64N10O9/c1-6-29(4)43(44(49)63)56-42(62)23-41(61)35(19-28(2)3)53-46(65)37(22-33-24-50-26-51-33)54-45(64)36(20-31-13-8-7-9-14-31)55-47(66)40-17-12-18-58(40)48(67)38(52-30(5)60)21-32-25-57(27-59)39-16-11-10-15-34(32)39/h7-11,13-16,24-29,35-38,40-41,43,61H,6,12,17-23H2,1-5H3,(H2,49,63)(H,50,51)(H,52,60)(H,53,65)(H,54,64)(H,55,66)(H,56,62)/t29-,35-,36-,37-,38-,40-,41?,43-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards porcine kidney renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022850
PNG
(CHEMBL102728 | Pro-Phe-His-Sta-Leu-Phe-NH2)
Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C43H61N9O7/c1-26(2)18-32(37(53)23-38(54)48-34(19-27(3)4)41(57)50-33(39(44)55)20-28-12-7-5-8-13-28)49-43(59)36(22-30-24-45-25-47-30)52-42(58)35(21-29-14-9-6-10-15-29)51-40(56)31-16-11-17-46-31/h5-10,12-15,24-27,31-37,46,53H,11,16-23H2,1-4H3,(H2,44,55)(H,45,47)(H,48,54)(H,49,59)(H,50,57)(H,51,56)(H,52,58)/t31-,32?,33-,34-,35-,36-,37?/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards porcine kidney renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022855
PNG
(Ac-Ftr-Pro-Phe-His-Phe-Phe-Val-Ftr-NH2 | CHEMBL263...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)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(C)=O)C(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(N)=O
Show InChI InChI=1S/C69H75N13O11/c1-42(2)61(68(92)74-52(62(70)86)33-47-37-80(40-83)58-26-15-13-24-50(47)58)79-66(90)55(32-46-22-11-6-12-23-46)76-63(87)53(30-44-18-7-4-8-19-44)75-65(89)56(35-49-36-71-39-72-49)77-64(88)54(31-45-20-9-5-10-21-45)78-67(91)60-28-17-29-82(60)69(93)57(73-43(3)85)34-48-38-81(41-84)59-27-16-14-25-51(48)59/h4-16,18-27,36-42,52-57,60-61H,17,28-35H2,1-3H3,(H2,70,86)(H,71,72)(H,73,85)(H,74,92)(H,75,89)(H,76,87)(H,77,88)(H,78,91)(H,79,90)/t52-,53-,54-,55-,56-,57-,60-,61-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022843
PNG
(CHEMBL100965 | Phe-His-Sta-Leu-Phe-NH2)
Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)Cc1ccccc1)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C38H54N8O6/c1-23(2)15-29(44-38(52)32(19-27-21-41-22-42-27)46-36(50)28(39)17-25-11-7-5-8-12-25)33(47)20-34(48)43-31(16-24(3)4)37(51)45-30(35(40)49)18-26-13-9-6-10-14-26/h5-14,21-24,28-33,47H,15-20,39H2,1-4H3,(H2,40,49)(H,41,42)(H,43,48)(H,44,52)(H,45,51)(H,46,50)/t28-,29?,30-,31-,32-,33?/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards porcine kidney renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50022841
PNG
(Ac-His-Pro-Phe-His-Sta-Ile-NH2 | CHEMBL329933)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC(O)[C@H](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(C)=O)C(N)=O
Show InChI InChI=1S/C42H61N11O8/c1-6-25(4)37(38(43)57)52-36(56)19-35(55)30(15-24(2)3)49-40(59)32(17-28-20-44-22-46-28)50-39(58)31(16-27-11-8-7-9-12-27)51-41(60)34-13-10-14-53(34)42(61)33(48-26(5)54)18-29-21-45-23-47-29/h7-9,11-12,20-25,30-35,37,55H,6,10,13-19H2,1-5H3,(H2,43,57)(H,44,46)(H,45,47)(H,48,54)(H,49,59)(H,50,58)(H,51,60)(H,52,56)/t25-,30-,31-,32-,33-,34-,35?,37-/m0/s1
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Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards porcine kidney renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022856
PNG
(Ac-Ftr-Pro-Phe-His-Phe-Phe-Val-NH2 | CHEMBL415839)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)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(C)=O)C(N)=O
Show InChI InChI=1S/C57H65N11O9/c1-35(2)50(51(58)71)66-55(75)45(28-39-20-11-6-12-21-39)63-52(72)43(26-37-16-7-4-8-17-37)62-54(74)46(30-41-31-59-33-60-41)64-53(73)44(27-38-18-9-5-10-19-38)65-56(76)49-24-15-25-68(49)57(77)47(61-36(3)70)29-40-32-67(34-69)48-23-14-13-22-42(40)48/h4-14,16-23,31-35,43-47,49-50H,15,24-30H2,1-3H3,(H2,58,71)(H,59,60)(H,61,70)(H,62,74)(H,63,72)(H,64,73)(H,65,76)(H,66,75)/t43-,44-,45-,46-,47-,49-,50-/m0/s1
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Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50022847
PNG
(Ac-Ftr-Pro-Phe-His-Sta-Ftr-NH2 | CHEMBL100924)
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](Cc1cn(C=O)c2ccccc12)NC(C)=O)C(O)CC(N)=O
Show InChI InChI=1S/C42H53N9O8/c1-25(2)16-31(37(54)20-38(43)55)47-40(57)33(19-29-21-44-23-45-29)48-39(56)32(17-27-10-5-4-6-11-27)49-41(58)36-14-9-15-51(36)42(59)34(46-26(3)53)18-28-22-50(24-52)35-13-8-7-12-30(28)35/h4-8,10-13,21-25,31-34,36-37,54H,9,14-20H2,1-3H3,(H2,43,55)(H,44,45)(H,46,53)(H,47,57)(H,48,56)(H,49,58)/t31?,32-,33-,34-,36-,37?/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards porcine kidney renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022848
PNG
(Ac-Trp-Pro-Phe-His-Phe-Phe-Val-Ftr-NH2 | CHEMBL262...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(N)=O
Show InChI InChI=1S/C68H75N13O10/c1-41(2)60(67(90)74-52(61(69)84)34-47-38-80(40-82)58-27-16-14-25-50(47)58)79-65(88)55(32-45-22-11-6-12-23-45)76-62(85)53(30-43-18-7-4-8-19-43)75-64(87)56(35-48-37-70-39-72-48)77-63(86)54(31-44-20-9-5-10-21-44)78-66(89)59-28-17-29-81(59)68(91)57(73-42(3)83)33-46-36-71-51-26-15-13-24-49(46)51/h4-16,18-27,36-41,52-57,59-60,71H,17,28-35H2,1-3H3,(H2,69,84)(H,70,72)(H,73,83)(H,74,90)(H,75,87)(H,76,85)(H,77,86)(H,78,89)(H,79,88)/t52-,53-,54-,55-,56-,57+,59-,60-/m0/s1
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Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022838
PNG
(Ac-Pro-Phe-His-Sta-NH2 | CHEMBL316614)
Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C=O)C(O)CC(N)=O
Show InChI InChI=1S/C29H41N7O6/c1-18(2)11-21(25(38)14-26(30)39)33-28(41)23(13-20-15-31-16-32-20)34-27(40)22(12-19-7-4-3-5-8-19)35-29(42)24-9-6-10-36(24)17-37/h3-5,7-8,15-18,21-25,38H,6,9-14H2,1-2H3,(H2,30,39)(H,31,32)(H,33,41)(H,34,40)(H,35,42)/t21?,22-,23-,24-,25?/m0/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022851
PNG
(CHEMBL413534 | Pro-His-Pro-Phe-His-Phe-Phe-Val-Tyr...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=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](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C78H96N16O13/c1-48(2)67(76(104)91-62(41-53-30-32-56(95)33-31-53)69(97)85-58(78(106)107)27-15-16-34-79)93-74(102)63(40-52-25-13-6-14-26-52)88-71(99)59(37-49-19-7-3-8-20-49)86-70(98)60(38-50-21-9-4-10-22-50)87-73(101)64(42-54-44-80-46-83-54)89-72(100)61(39-51-23-11-5-12-24-51)90-75(103)66-29-18-36-94(66)77(105)65(43-55-45-81-47-84-55)92-68(96)57-28-17-35-82-57/h3-14,19-26,30-33,44-48,57-67,82,95H,15-18,27-29,34-43,79H2,1-2H3,(H,80,83)(H,81,84)(H,85,97)(H,86,98)(H,87,101)(H,88,99)(H,89,100)(H,90,103)(H,91,104)(H,92,96)(H,93,102)(H,106,107)/t57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-/m0/s1
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PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022849
PNG
(Ac-His-Pro-Phe-His-Phe-Phe-Val-Ftr-NH2 | CHEMBL265...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=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](Cc1cn(C=O)c2ccccc12)C(N)=O
Show InChI InChI=1S/C63H72N14O10/c1-38(2)55(62(86)70-47(56(64)80)29-43-34-76(37-78)53-23-14-13-22-46(43)53)75-60(84)50(28-42-20-11-6-12-21-42)72-57(81)48(26-40-16-7-4-8-17-40)71-59(83)51(30-44-32-65-35-67-44)73-58(82)49(27-41-18-9-5-10-19-41)74-61(85)54-24-15-25-77(54)63(87)52(69-39(3)79)31-45-33-66-36-68-45/h4-14,16-23,32-38,47-52,54-55H,15,24-31H2,1-3H3,(H2,64,80)(H,65,67)(H,66,68)(H,69,79)(H,70,86)(H,71,83)(H,72,81)(H,73,82)(H,74,85)(H,75,84)/t47-,48-,49-,50-,51-,52-,54-,55-/m0/s1
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PubMed
n/an/a 8.30E+3n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM912
PNG
((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O
Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1
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PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards porcine kidney renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM912
PNG
((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O
Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1
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PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022839
PNG
(Ac-Ftr-Pro-Phe-His-Phe-Phe-NH2 | CHEMBL217629)
Show SMILES CC(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C52H56N10O8/c1-33(64)56-44(27-37-30-61(32-63)45-21-12-11-20-39(37)45)52(70)62-23-13-22-46(62)51(69)60-42(26-36-18-9-4-10-19-36)49(67)59-43(28-38-29-54-31-55-38)50(68)58-41(25-35-16-7-3-8-17-35)48(66)57-40(47(53)65)24-34-14-5-2-6-15-34/h2-12,14-21,29-32,40-44,46H,13,22-28H2,1H3,(H2,53,65)(H,54,55)(H,56,64)(H,57,66)(H,58,68)(H,59,67)(H,60,69)/t40-,41-,42-,43-,44-,46-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022854
PNG
(Ac-D-Ftr-Pro-Phe-His-Phe-Phe-Val-Ftr-NH2 | CHEMBL4...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)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(C)=O)C(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(N)=O
Show InChI InChI=1S/C69H75N13O11/c1-42(2)61(68(92)74-52(62(70)86)33-47-37-80(40-83)58-26-15-13-24-50(47)58)79-66(90)55(32-46-22-11-6-12-23-46)76-63(87)53(30-44-18-7-4-8-19-44)75-65(89)56(35-49-36-71-39-72-49)77-64(88)54(31-45-20-9-5-10-21-45)78-67(91)60-28-17-29-82(60)69(93)57(73-43(3)85)34-48-38-81(41-84)59-27-16-14-25-51(48)59/h4-16,18-27,36-42,52-57,60-61H,17,28-35H2,1-3H3,(H2,70,86)(H,71,72)(H,73,85)(H,74,92)(H,75,89)(H,76,87)(H,77,88)(H,78,91)(H,79,90)/t52-,53-,54-,55-,56-,57+,60-,61-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022857
PNG
(Ac-His-Phe-Ftr-Phe-Phe-Val-Ftr-NH2 | CHEMBL2370339)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cn(C=O)c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(N)=O
Show InChI InChI=1S/C64H68N12O10/c1-39(2)57(64(86)69-49(58(65)80)30-44-34-75(37-77)55-25-15-13-23-47(44)55)74-63(85)52(29-43-21-11-6-12-22-43)72-59(81)50(27-41-17-7-4-8-18-41)70-61(83)53(31-45-35-76(38-78)56-26-16-14-24-48(45)56)73-60(82)51(28-42-19-9-5-10-20-42)71-62(84)54(68-40(3)79)32-46-33-66-36-67-46/h4-26,33-39,49-54,57H,27-32H2,1-3H3,(H2,65,80)(H,66,67)(H,68,79)(H,69,86)(H,70,83)(H,71,84)(H,72,81)(H,73,82)(H,74,85)/t49-,50-,51-,52-,53-,54-,57-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022852
PNG
(Ac-Ftr-Gly-Phe-His-Phe-Phe-Val-Ftr-NH2 | CHEMBL437...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](Cc1cn(C=O)c2ccccc12)NC(C)=O)C(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(N)=O
Show InChI InChI=1S/C66H71N13O11/c1-40(2)59(66(90)73-50(60(67)84)30-45-35-78(38-80)56-25-15-13-23-48(45)56)77-65(89)53(29-44-21-11-6-12-22-44)75-63(87)52(28-43-19-9-5-10-20-43)74-64(88)55(32-47-33-68-37-70-47)76-62(86)51(27-42-17-7-4-8-18-42)72-58(83)34-69-61(85)54(71-41(3)82)31-46-36-79(39-81)57-26-16-14-24-49(46)57/h4-26,33,35-40,50-55,59H,27-32,34H2,1-3H3,(H2,67,84)(H,68,70)(H,69,85)(H,71,82)(H,72,83)(H,73,90)(H,74,88)(H,75,87)(H,76,86)(H,77,89)/t50-,51-,52-,53-,54-,55-,59-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022858
PNG
(CHEMBL103365 | His-Sta-Leu-Phe-NH2)
Show SMILES CC(C)CC(NC(=O)[C@@H](N)Cc1cnc[nH]1)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C29H45N7O5/c1-17(2)10-22(35-28(40)21(30)13-20-15-32-16-33-20)25(37)14-26(38)34-24(11-18(3)4)29(41)36-23(27(31)39)12-19-8-6-5-7-9-19/h5-9,15-18,21-25,37H,10-14,30H2,1-4H3,(H2,31,39)(H,32,33)(H,34,38)(H,35,40)(H,36,41)/t21-,22?,23-,24-,25?/m0/s1
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PubMed
n/an/a 3.70E+5n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards porcine kidney renin


J Med Chem 31: 18-30 (1988)


Article DOI: 10.1021/jm00396a006
BindingDB Entry DOI: 10.7270/Q2C53MDQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%