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Compile Data Set for Download or QSAR

Found 11 hits of kd data for polymerid = 49000273,5550   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50052101
PNG
(2-({1-[2-{2-[2-{2-[5-Guanidino-2-(2-methylamino-ac...)
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](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C48H69N13O10/c1-27(2)39(59-41(64)33(55-38(63)25-51-5)13-9-19-53-48(49)50)44(67)56-34(21-30-15-17-32(62)18-16-30)42(65)60-40(28(3)4)45(68)57-35(23-31-24-52-26-54-31)46(69)61-20-10-14-37(61)43(66)58-36(47(70)71)22-29-11-7-6-8-12-29/h6-8,11-12,15-18,24,26-28,33-37,39-40,51,62H,9-10,13-14,19-23,25H2,1-5H3,(H,52,54)(H,55,63)(H,56,67)(H,57,68)(H,58,66)(H,59,64)(H,60,65)(H,70,71)(H4,49,50,53)/t33-,34-,35-,36-,37+,39-,40-/m0/s1
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n/an/an/a 0.540n/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was determined against Angiotensin II receptor, type 1


J Med Chem 39: 2738-44 (1996)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50159215
PNG
(CHEMBL3787375)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[3H]CC([3H])C(=O)NCCCCNC(=O)\N=C(/N)NCCC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1/C58H85N15O14.3C2HF3O2/c1-6-34(5)48(54(83)68-42(29-37-31-61-32-65-37)55(84)73-26-14-18-44(73)52(81)69-43(56(85)86)28-35-15-9-8-10-16-35)71-51(80)41(27-36-19-21-38(74)22-20-36)67-53(82)47(33(3)4)70-50(79)40(66-49(78)39(59)30-46(76)77)17-13-25-63-57(60)72-58(87)64-24-12-11-23-62-45(75)7-2;3*3-2(4,5)1(6)7/h8-10,15-16,19-22,31-34,39-44,47-48,74H,6-7,11-14,17-18,23-30,59H2,1-5H3,(H,61,65)(H,62,75)(H,66,78)(H,67,82)(H,68,83)(H,69,81)(H,70,79)(H,71,80)(H,76,77)(H,85,86)(H4,60,63,64,72,87);3*(H,6,7)/t34-,39-,40-,41-,42-,43-,44-,47-,48-;;;/s2/i2T,7T;;;/t7?,34-,39-,40-,41-,42-,43-,44-,47-,48-;;;
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n/an/an/a 0.930n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human AT1 receptor transfected in CHO cells co-expressing Galpha16-mtAEQ after 2 hrs by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50236697
PNG
(5-L-isoleucineangiotensin II | 5-isoleucine-angiot...)
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)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1
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n/an/an/a 2n/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was determined against Angiotensin II receptor, type 1


J Med Chem 39: 2738-44 (1996)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50052108
PNG
(CHEMBL415025 | Sar-Arg-Val-Tyr-Hcy-His-Mpc-Phe)
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]1CCSS[C@@H]2C[C@@H](N(C2)C(=O)[C@@H](Cc2cnc[nH]2)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C47H65N13O10S2/c1-26(2)39(59-41(64)32(54-38(62)23-50-3)10-7-16-52-47(48)49)44(67)56-34(18-28-11-13-30(61)14-12-28)42(65)55-33-15-17-71-72-31-21-37(43(66)58-36(46(69)70)19-27-8-5-4-6-9-27)60(24-31)45(68)35(57-40(33)63)20-29-22-51-25-53-29/h4-6,8-9,11-14,22,25-26,31-37,39,50,61H,7,10,15-21,23-24H2,1-3H3,(H,51,53)(H,54,62)(H,55,65)(H,56,67)(H,57,63)(H,58,66)(H,59,64)(H,69,70)(H4,48,49,52)/t31-,32+,33-,34+,35-,36+,37-,39+/m1/s1
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n/an/an/a 20n/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was determined against Angiotensin II receptor, type 1


J Med Chem 39: 2738-44 (1996)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50052102
PNG
(CHEMBL414918 | Sar-Arg-Val-D-Tyr-Pro-His-Pro-Phe)
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)N1CCC[C@@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C48H67N13O10/c1-28(2)40(59-41(64)33(55-39(63)26-51-3)12-7-19-53-48(49)50)44(67)57-34(22-30-15-17-32(62)18-16-30)45(68)60-20-8-13-37(60)42(65)56-35(24-31-25-52-27-54-31)46(69)61-21-9-14-38(61)43(66)58-36(47(70)71)23-29-10-5-4-6-11-29/h4-6,10-11,15-18,25,27-28,33-38,40,51,62H,7-9,12-14,19-24,26H2,1-3H3,(H,52,54)(H,55,63)(H,56,65)(H,57,67)(H,58,66)(H,59,64)(H,70,71)(H4,49,50,53)/t33-,34+,35-,36-,37+,38+,40-/m0/s1
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n/an/an/a 58n/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was determined against Angiotensin II receptor, type 1


J Med Chem 39: 2738-44 (1996)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50052110
PNG
(CHEMBL216678 | Sar-Arg-Val-Tyr-Hcy-His-Mpt-Phe)
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]1CCSS[C@@H]2C[C@H](N(C2)C(=O)[C@@H](Cc2cnc[nH]2)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C47H65N13O10S2/c1-26(2)39(59-41(64)32(54-38(62)23-50-3)10-7-16-52-47(48)49)44(67)56-34(18-28-11-13-30(61)14-12-28)42(65)55-33-15-17-71-72-31-21-37(43(66)58-36(46(69)70)19-27-8-5-4-6-9-27)60(24-31)45(68)35(57-40(33)63)20-29-22-51-25-53-29/h4-6,8-9,11-14,22,25-26,31-37,39,50,61H,7,10,15-21,23-24H2,1-3H3,(H,51,53)(H,54,62)(H,55,65)(H,56,67)(H,57,63)(H,58,66)(H,59,64)(H,69,70)(H4,48,49,52)/t31-,32+,33-,34+,35-,36+,37+,39+/m1/s1
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n/an/an/a 750n/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was determined against Angiotensin II receptor, type 1


J Med Chem 39: 2738-44 (1996)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50052106
PNG
(CHEMBL406170 | Sar-Arg-Val-Tyr-Cys-His-Mpc-Phe)
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]1CSS[C@@H]2C[C@@H](N(C2)C(=O)[C@@H](Cc2cnc[nH]2)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C46H63N13O10S2/c1-25(2)38(58-39(62)31(53-37(61)21-49-3)10-7-15-51-46(47)48)43(66)54-32(16-27-11-13-29(60)14-12-27)40(63)57-35-23-70-71-30-19-36(42(65)56-34(45(68)69)17-26-8-5-4-6-9-26)59(22-30)44(67)33(55-41(35)64)18-28-20-50-24-52-28/h4-6,8-9,11-14,20,24-25,30-36,38,49,60H,7,10,15-19,21-23H2,1-3H3,(H,50,52)(H,53,61)(H,54,66)(H,55,64)(H,56,65)(H,57,63)(H,58,62)(H,68,69)(H4,47,48,51)/t30-,31+,32+,33-,34+,35-,36-,38+/m1/s1
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n/an/an/a 2.30E+3n/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was determined against Angiotensin II receptor, type 1


J Med Chem 39: 2738-44 (1996)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50052103
PNG
(CHEMBL217873 | Sar-Arg-Val-Tyr-Glu-His-Apt-Phe)
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]1CCC(=O)N[C@@H]2C[C@@H](N(C2)C(=O)[C@@H](Cc2cnc[nH]2)NC1=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C48H66N14O11/c1-26(2)40(61-42(67)32(56-39(65)23-51-3)10-7-17-53-48(49)50)45(70)58-34(18-28-11-13-31(63)14-12-28)43(68)57-33-15-16-38(64)55-30-21-37(44(69)60-36(47(72)73)19-27-8-5-4-6-9-27)62(24-30)46(71)35(59-41(33)66)20-29-22-52-25-54-29/h4-6,8-9,11-14,22,25-26,30,32-37,40,51,63H,7,10,15-21,23-24H2,1-3H3,(H,52,54)(H,55,64)(H,56,65)(H,57,68)(H,58,70)(H,59,66)(H,60,69)(H,61,67)(H,72,73)(H4,49,50,53)/t30-,32+,33-,34-,35-,36-,37-,40+/m1/s1
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n/an/an/a>1.00E+4n/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was determined against Angiotensin II receptor, type 1


J Med Chem 39: 2738-44 (1996)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50052109
PNG
(CHEMBL412864 | Sar-Arg-Val-Tyr-Cys-His-Mpt-Phe)
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]1CSS[C@@H]2C[C@H](N(C2)C(=O)[C@@H](Cc2cnc[nH]2)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C46H63N13O10S2/c1-25(2)38(58-39(62)31(53-37(61)21-49-3)10-7-15-51-46(47)48)43(66)54-32(16-27-11-13-29(60)14-12-27)40(63)57-35-23-70-71-30-19-36(42(65)56-34(45(68)69)17-26-8-5-4-6-9-26)59(22-30)44(67)33(55-41(35)64)18-28-20-50-24-52-28/h4-6,8-9,11-14,20,24-25,30-36,38,49,60H,7,10,15-19,21-23H2,1-3H3,(H,50,52)(H,53,61)(H,54,66)(H,55,64)(H,56,65)(H,57,63)(H,58,62)(H,68,69)(H4,47,48,51)/t30-,31+,32+,33-,34+,35-,36+,38+/m1/s1
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n/an/an/a>1.00E+4n/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was determined against Angiotensin II receptor, type 1


J Med Chem 39: 2738-44 (1996)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50052104
PNG
(CHEMBL410812 | Sar-Arg-Val-Tyr-Asp-His-Apt-Phe)
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]1CC(=O)N[C@@H]2C[C@@H](N(C2)C(=O)[C@@H](Cc2cnc[nH]2)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C47H64N14O11/c1-25(2)39(60-40(65)31(55-38(64)22-50-3)10-7-15-52-47(48)49)44(69)57-32(16-27-11-13-30(62)14-12-27)41(66)56-33-20-37(63)54-29-19-36(43(68)59-35(46(71)72)17-26-8-5-4-6-9-26)61(23-29)45(70)34(58-42(33)67)18-28-21-51-24-53-28/h4-6,8-9,11-14,21,24-25,29,31-36,39,50,62H,7,10,15-20,22-23H2,1-3H3,(H,51,53)(H,54,63)(H,55,64)(H,56,66)(H,57,69)(H,58,67)(H,59,68)(H,60,65)(H,71,72)(H4,48,49,52)/t29-,31+,32+,33-,34-,35+,36-,39+/m1/s1
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n/an/an/a>1.00E+4n/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was determined against Angiotensin II receptor, type 1


J Med Chem 39: 2738-44 (1996)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50052105
PNG
(CHEMBL405938 | Sar-Arg-Val-Tyr-Cys-His-Pen-Phe)
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]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](Cc2cnc[nH]2)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C46H65N13O10S2/c1-25(2)36(58-38(62)30(53-35(61)22-49-5)12-9-17-51-45(47)48)42(66)55-31(18-27-13-15-29(60)16-14-27)39(63)57-34-23-70-71-46(3,4)37(43(67)56-33(44(68)69)19-26-10-7-6-8-11-26)59-40(64)32(54-41(34)65)20-28-21-50-24-52-28/h6-8,10-11,13-16,21,24-25,30-34,36-37,49,60H,9,12,17-20,22-23H2,1-5H3,(H,50,52)(H,53,61)(H,54,65)(H,55,66)(H,56,67)(H,57,63)(H,58,62)(H,59,64)(H,68,69)(H4,47,48,51)/t30-,31-,32+,33-,34+,36-,37-/m0/s1
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n/an/an/a>1.00E+4n/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was determined against Angiotensin II receptor, type 1


J Med Chem 39: 2738-44 (1996)

More data for this
Ligand-Target Pair