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PubMed code 1875337

Compile data set for download or QSAR
Found 10 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
Angiotensin II receptor


(Homo sapiens (Human)-HUMAN)
BDBM50229504
PNG
(SARALASIN | Saralasin)
Show SMILES CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C42H65N13O10/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47)/t24-,28-,29-,30-,31-,33-,34-/m0/s1
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n/an/a 0.0660n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity as antagonist of AII on guinea pig ileum


J Med Chem 34: 2402-10 (1991)


Article DOI: 10.1021/jm00112a014
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human)-HUMAN)
BDBM50030815
PNG
(CHEMBL404594)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)C(O)=O
Show InChI InChI=1S/C46H73N13O10/c1-8-26(5)37(43(66)55-33(21-29-22-50-24-52-29)44(67)59-19-11-13-34(59)41(64)58-38(45(68)69)27(6)9-2)57-40(63)32(20-28-14-16-30(60)17-15-28)54-42(65)36(25(3)4)56-39(62)31(53-35(61)23-49-7)12-10-18-51-46(47)48/h14-17,22,24-27,31-34,36-38,49,60H,8-13,18-21,23H2,1-7H3,(H,50,52)(H,53,61)(H,54,65)(H,55,66)(H,56,62)(H,57,63)(H,58,64)(H,68,69)(H4,47,48,51)/t26-,27-,31-,32-,33-,34-,36-,37-,38-/m0/s1
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n/an/a 0.210n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity as antagonist of AII on guinea pig ileum


J Med Chem 34: 2402-10 (1991)


Article DOI: 10.1021/jm00112a014
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human)-HUMAN)
BDBM50229420
PNG
(CHEMBL77838)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C45H71N13O10/c1-8-26(6)37(44(67)68)57-40(63)33-12-10-18-58(33)43(66)32(20-28-21-49-23-51-28)54-42(65)36(25(4)5)56-39(62)31(19-27-13-15-29(59)16-14-27)53-41(64)35(24(2)3)55-38(61)30(52-34(60)22-48-7)11-9-17-50-45(46)47/h13-16,21,23-26,30-33,35-37,48,59H,8-12,17-20,22H2,1-7H3,(H,49,51)(H,52,60)(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,67,68)(H4,46,47,50)/t26-,30-,31-,32-,33-,35-,36-,37-/m0/s1
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n/an/a 0.450n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity as antagonist of AII on guinea pig ileum


J Med Chem 34: 2402-10 (1991)


Article DOI: 10.1021/jm00112a014
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human)-HUMAN)
BDBM50228894
PNG
(CHEMBL312754)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C43H67N13O10/c1-7-24(4)35(40(63)53-31(19-27-20-47-22-49-27)41(64)56-17-9-11-32(56)38(61)50-25(5)42(65)66)55-37(60)30(18-26-12-14-28(57)15-13-26)52-39(62)34(23(2)3)54-36(59)29(51-33(58)21-46-6)10-8-16-48-43(44)45/h12-15,20,22-25,29-32,34-35,46,57H,7-11,16-19,21H2,1-6H3,(H,47,49)(H,50,61)(H,51,58)(H,52,62)(H,53,63)(H,54,59)(H,55,60)(H,65,66)(H4,44,45,48)/t24-,25-,29-,30-,31-,32-,34-,35-/m0/s1
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n/an/a 5.80n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity as antagonist of AII on guinea pig ileum


J Med Chem 34: 2402-10 (1991)


Article DOI: 10.1021/jm00112a014
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human)-HUMAN)
BDBM50229419
PNG
(CHEMBL405381)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC=O)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C50H71N13O11/c1-5-29(4)41(47(71)59-37(25-32-26-54-27-56-32)48(72)63-21-10-14-39(63)45(69)60-38(49(73)74)24-30-11-7-6-8-12-30)62-44(68)36(23-31-15-17-33(65)18-16-31)58-46(70)40(28(2)3)61-43(67)35(13-9-20-55-50(52)53)57-42(66)34(51)19-22-64/h6-8,11-12,15-18,22,26-29,34-41,65H,5,9-10,13-14,19-21,23-25,51H2,1-4H3,(H,54,56)(H,57,66)(H,58,70)(H,59,71)(H,60,69)(H,61,67)(H,62,68)(H,73,74)(H4,52,53,55)/t29-,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for its ability to displace [3H]Angiotensin II (300 ng/mL) from rabbit adrenal cortex


J Med Chem 34: 2402-10 (1991)


Article DOI: 10.1021/jm00112a014
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human)-HUMAN)
BDBM50229417
PNG
(CHEMBL2369863)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)N[C@H](C(N)=O)C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C47H74N14O11/c1-8-26(6)37(46(71)72)60-43(68)33-12-10-18-61(33)45(70)32(20-28-21-52-23-54-28)56-38(40(48)65)39(64)35(24(2)3)58-42(67)31(19-27-13-15-29(62)16-14-27)57-44(69)36(25(4)5)59-41(66)30(55-34(63)22-51-7)11-9-17-53-47(49)50/h13-16,21,23-26,30-33,35-38,51,56,62H,8-12,17-20,22H2,1-7H3,(H2,48,65)(H,52,54)(H,55,63)(H,57,69)(H,58,67)(H,59,66)(H,60,68)(H,71,72)(H4,49,50,53)/t26-,30-,31-,32-,33-,35-,36-,37-,38-/m0/s1
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n/an/a 330n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity as antagonist of AII on guinea pig ileum


J Med Chem 34: 2402-10 (1991)


Article DOI: 10.1021/jm00112a014
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human)-HUMAN)
BDBM50229421
PNG
(CHEMBL418901)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(O)=O
Show InChI InChI=1S/C30H42N6O7/c1-5-19(4)25(29(40)41)34-26(37)23-12-9-13-36(23)28(39)22(14-21-15-31-17-32-21)33-27(38)24(18(2)3)35-30(42)43-16-20-10-7-6-8-11-20/h6-8,10-11,15,17-19,22-25H,5,9,12-14,16H2,1-4H3,(H,31,32)(H,33,38)(H,34,37)(H,35,42)(H,40,41)/t19-,22-,23-,24-,25-/m0/s1
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n/an/a>1.50E+4n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity as antagonist of AII on guinea pig ileum


J Med Chem 34: 2402-10 (1991)


Article DOI: 10.1021/jm00112a014
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human)-HUMAN)
BDBM50229503
PNG
(CHEMBL309651)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)CCc1ccc(O)cc1)C(C)C)C(O)=O
Show InChI InChI=1S/C31H44N6O7/c1-5-19(4)27(31(43)44)36-28(40)24-7-6-14-37(24)30(42)23(15-21-16-32-17-33-21)34-29(41)26(18(2)3)35-25(39)13-10-20-8-11-22(38)12-9-20/h8-9,11-12,16-19,23-24,26-27,38H,5-7,10,13-15H2,1-4H3,(H,32,33)(H,34,41)(H,35,39)(H,36,40)(H,43,44)/t19-,23-,24-,26-,27-/m0/s1
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n/an/a>1.50E+4n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity as antagonist of AII on guinea pig ileum


J Med Chem 34: 2402-10 (1991)


Article DOI: 10.1021/jm00112a014
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human)-HUMAN)
BDBM50229418
PNG
(CHEMBL76890)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)CCc1ccc(OC)cc1)C(C)C)C(O)=O
Show InChI InChI=1S/C32H46N6O7/c1-6-20(4)28(32(43)44)37-29(40)25-8-7-15-38(25)31(42)24(16-22-17-33-18-34-22)35-30(41)27(19(2)3)36-26(39)14-11-21-9-12-23(45-5)13-10-21/h9-10,12-13,17-20,24-25,27-28H,6-8,11,14-16H2,1-5H3,(H,33,34)(H,35,41)(H,36,39)(H,37,40)(H,43,44)/t20-,24-,25-,27-,28-/m0/s1
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n/an/a>1.50E+4n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity as antagonist of AII on guinea pig ileum


J Med Chem 34: 2402-10 (1991)


Article DOI: 10.1021/jm00112a014
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human)-HUMAN)
BDBM50229502
PNG
(CHEMBL308824)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(C(N)=O)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(O)=O
Show InChI InChI=1S/C32H45N7O8/c1-5-19(4)25(31(44)45)37-29(42)23-12-9-13-39(23)30(43)22(14-21-15-34-17-35-21)36-26(28(33)41)27(40)24(18(2)3)38-32(46)47-16-20-10-7-6-8-11-20/h6-8,10-11,15,17-19,22-26,36H,5,9,12-14,16H2,1-4H3,(H2,33,41)(H,34,35)(H,37,42)(H,38,46)(H,44,45)/t19-,22-,23-,24-,25-,26?/m0/s1
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n/an/a>1.50E+4n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity as antagonist of AII on guinea pig ileum


J Med Chem 34: 2402-10 (1991)


Article DOI: 10.1021/jm00112a014
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%