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21 similar compounds to monomer 50175584

Compile data set for download or QSAR
Wt: 1002.1
BDBM50011973
Wt: 3318.7
BDBM50046541
Wt: 884.9
BDBM50048127
Wt: 1032.1
BDBM50048128
Wt: 988.1
BDBM50052101
Wt: 986.1
BDBM50052102
Wt: 1068.2
BDBM50156178
Wt: 909.9
BDBM50175585
Wt: 995.0
BDBM50175586
Wt: 895.9
BDBM50175587
Wt: 1046.1
BDBM50236697
Purchase
Wt: 1154.3
BDBM50313242
Wt: 1097.2
BDBM50313244
Wt: 1182.3
BDBM50313246
Wt: 1106.2
BDBM50313247
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 50011973,50046541,50048127,50048128,50052101,50052102,50156178,50175585,50175586,50175587,50236697,50313242,50313244,50313246,50313247   
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))
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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Article
PubMed
0.160n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-Angiotensin 2 from human placental AT1 receptor expressed in African green monkey COS7 cell membranes after 90 mins by gamma cou...


J Med Chem 59: 1925-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01495
BindingDB Entry DOI: 10.7270/Q2V69MGK
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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Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Bioorg Med Chem Lett 26: 1355-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.084
BindingDB Entry DOI: 10.7270/Q2SN0BT6
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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0.240n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-Asp-{Nomega-[N-(4-propanoylaminobutyl)aminocarbonyl]}Arg-ValTyr-Ile-His-Pro-Phe-OH Tris(hydrotrifluoroacetate) from human AT1 re...


J Med Chem 59: 1925-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01495
BindingDB Entry DOI: 10.7270/Q2V69MGK
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50313242
PNG
(CHEMBL1076603 | [Sar1,Bpa3]AngII)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)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/C60H75N13O11/c1-4-36(2)51(57(81)70-47(32-42-33-64-35-66-42)58(82)73-28-12-18-49(73)56(80)71-48(59(83)84)31-37-13-7-5-8-14-37)72-55(79)46(30-39-21-25-43(74)26-22-39)69-54(78)45(29-38-19-23-41(24-20-38)52(76)40-15-9-6-10-16-40)68-53(77)44(67-50(75)34-63-3)17-11-27-65-60(61)62/h5-10,13-16,19-26,33,35-36,44-49,51,63,74H,4,11-12,17-18,27-32,34H2,1-3H3,(H,64,66)(H,67,75)(H,68,77)(H,69,78)(H,70,81)(H,71,80)(H,72,79)(H,83,84)(H4,61,62,65)/t36-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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Article
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0.700n/an/an/an/an/an/an/an/a



Universite de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I][Sar1,Ile8]Ang2 from wild-type human AT1 receptor expressed in CHO cells by gamma counting


J Med Chem 53: 2063-75 (2010)


Article DOI: 10.1021/jm9015747
BindingDB Entry DOI: 10.7270/Q2XD11TP
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50313247
PNG
(CHEMBL1076632 | [Sar1,Bpa8]AngII)
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](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C56H75N13O11/c1-6-33(4)47(68-50(74)41(26-35-18-22-39(70)23-19-35)64-52(76)46(32(2)3)67-49(73)40(63-45(71)30-59-5)14-10-24-61-56(57)58)53(77)65-42(28-38-29-60-31-62-38)54(78)69-25-11-15-44(69)51(75)66-43(55(79)80)27-34-16-20-37(21-17-34)48(72)36-12-8-7-9-13-36/h7-9,12-13,16-23,29,31-33,40-44,46-47,59,70H,6,10-11,14-15,24-28,30H2,1-5H3,(H,60,62)(H,63,71)(H,64,76)(H,65,77)(H,66,75)(H,67,73)(H,68,74)(H,79,80)(H4,57,58,61)/t33-,40-,41-,42-,43-,44-,46-,47-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Universite de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I][Sar1,Ile8]Ang2 from wild-type human AT1 receptor expressed in CHO cells by gamma counting


J Med Chem 53: 2063-75 (2010)


Article DOI: 10.1021/jm9015747
BindingDB Entry DOI: 10.7270/Q2XD11TP
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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US Patent
0.898n/an/an/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
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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1.40n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand [Sar1,Ile5,8]AII binding to angiotensin II receptor in rat brain


J Med Chem 32: 898-903 (1989)


Article DOI: 10.1021/jm00124a028
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
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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PubMed
1.90n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand [Sar1,Ile5,8]AII binding to angiotensin II receptor in rat uterus


J Med Chem 32: 898-903 (1989)


Article DOI: 10.1021/jm00124a028
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50156178
PNG
(CHEMBL216331 | c[Hcy3,5]Ang II)
Show SMILES N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCS)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/C47H65N13O12S2/c48-30(23-38(62)63)39(64)54-31(8-4-16-52-47(49)50)40(65)55-32(14-18-73)41(66)57-34(20-27-10-12-29(61)13-11-27)43(68)56-33(15-19-74)42(67)58-35(22-28-24-51-25-53-28)45(70)60-17-5-9-37(60)44(69)59-36(46(71)72)21-26-6-2-1-3-7-26/h1-3,6-7,10-13,24-25,30-37,61,73-74H,4-5,8-9,14-23,48H2,(H,51,53)(H,54,64)(H,55,65)(H,56,68)(H,57,66)(H,58,67)(H,59,69)(H,62,63)(H,71,72)(H4,49,50,52)/t30-,31-,32-,33-,34-,35-,36-,37-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ang II from pig uterus myometrium angiotensin II type 2 (AT2) receptor


J Med Chem 47: 6009-19 (2004)


Article DOI: 10.1021/jm049651m
BindingDB Entry DOI: 10.7270/Q2668DZ3
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50046541
PNG
(CHEMBL427966 | Tyr-Pro-Ser-Lys-Pro-Asp-c(Glu-Pro-(...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C151H233N45O40/c1-12-78(7)118(141(229)187-106(70-115(155)205)132(220)182-102(64-77(5)6)134(222)192-119(79(8)13-2)142(230)193-120(82(11)199)143(231)178-97(30-21-59-169-151(162)163)124(212)177-98(50-52-114(154)204)128(216)175-96(29-20-58-168-150(160)161)127(215)188-108(147(235)236)68-86-40-48-91(203)49-41-86)191-135(223)104(67-85-38-46-90(202)47-39-85)184-131(219)105(69-87-72-164-75-170-87)185-126(214)95(28-19-57-167-149(158)159)176-129(217)101(63-76(3)4)181-122(210)80(9)171-136(224)109(73-197)189-130(218)103(66-84-36-44-89(201)45-37-84)183-125(213)93-25-15-17-55-165-116(206)53-51-100(146(234)195-61-23-31-111(195)138(226)172-81(10)121(209)173-94(123(211)174-93)27-18-56-166-148(156)157)180-133(221)107(71-117(207)208)186-139(227)113-33-24-62-196(113)145(233)99(26-14-16-54-152)179-137(225)110(74-198)190-140(228)112-32-22-60-194(112)144(232)92(153)65-83-34-42-88(200)43-35-83/h34-49,72,75-82,92-113,118-120,197-203H,12-33,50-71,73-74,152-153H2,1-11H3,(H2,154,204)(H2,155,205)(H,164,170)(H,165,206)(H,171,224)(H,172,226)(H,173,209)(H,174,211)(H,175,216)(H,176,217)(H,177,212)(H,178,231)(H,179,225)(H,180,221)(H,181,210)(H,182,220)(H,183,213)(H,184,219)(H,185,214)(H,186,227)(H,187,229)(H,188,215)(H,189,218)(H,190,228)(H,191,223)(H,192,222)(H,193,230)(H,207,208)(H,235,236)(H4,156,157,166)(H4,158,159,167)(H4,160,161,168)(H4,162,163,169)/t78-,79-,80-,81+,82+,92-,93-,94+,95-,96-,97-,98-,99-,100+,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111+,112-,113+,118-,119-,120-/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Tested against neuropeptide Y2 receptors using SK-N-BE2 human neuroblastoma cells


J Med Chem 36: 385-93 (1993)


Article DOI: 10.1021/jm00055a010
BindingDB Entry DOI: 10.7270/Q2WS8S96
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50175586
PNG
((S)-3-Amino-N-((S)-1-{(S)-1-[(S)-3-[2-[2-((S)-(S)-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(=O)Nc1cc(Cc2ccc(O)cc2)cc(c1)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/C49H62N12O11/c1-27(2)41(60-44(67)36(10-6-16-54-49(51)52)57-43(66)35(50)24-40(63)64)46(69)56-32-20-30(18-29-12-14-34(62)15-13-29)19-31(22-32)42(65)58-37(23-33-25-53-26-55-33)47(70)61-17-7-11-39(61)45(68)59-38(48(71)72)21-28-8-4-3-5-9-28/h3-5,8-9,12-15,19-20,22,25-27,35-39,41,62H,6-7,10-11,16-18,21,23-24,50H2,1-2H3,(H,53,55)(H,56,69)(H,57,66)(H,58,65)(H,59,68)(H,60,67)(H,63,64)(H,71,72)(H4,51,52,54)/t35-,36-,37-,38-,39-,41-/m0/s1
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9.80n/an/an/an/an/an/a7.4n/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for angiotensin II receptor, type 2 in pig uterus myometrium using [125I]-Ang II as radioligand, in pH 7.4 Tris-HCl buffer for 1.5 h...


J Med Chem 48: 6620-31 (2005)


Article DOI: 10.1021/jm050280z
BindingDB Entry DOI: 10.7270/Q2HX1DG6
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50175585
PNG
((S)-3-Amino-N-{(S)-1-[3-[(S)-2-[2-((S)-(S)-1-carbo...)
Show SMILES N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1cc(Cc2ccc(O)cc2)cc(c1)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/C45H55N11O10/c46-33(22-38(58)59)40(61)53-34(8-4-14-50-45(47)48)41(62)51-23-29-17-28(16-27-10-12-32(57)13-11-27)18-30(19-29)39(60)54-35(21-31-24-49-25-52-31)43(64)56-15-5-9-37(56)42(63)55-36(44(65)66)20-26-6-2-1-3-7-26/h1-3,6-7,10-13,17-19,24-25,33-37,57H,4-5,8-9,14-16,20-23,46H2,(H,49,52)(H,51,62)(H,53,61)(H,54,60)(H,55,63)(H,58,59)(H,65,66)(H4,47,48,50)/t33-,34-,35-,36-,37-/m0/s1
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10.1n/an/an/an/an/an/a7.4n/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for angiotensin II receptor, type 2 in pig uterus myometrium using [125I]-Ang II as radioligand, in pH 7.4 Tris-HCl buffer for 1.5 h...


J Med Chem 48: 6620-31 (2005)


Article DOI: 10.1021/jm050280z
BindingDB Entry DOI: 10.7270/Q2HX1DG6
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50313244
PNG
(CHEMBL1076601 | [Sar1,Bpa2]AngII)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)NC(=O)CNC)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/C59H72N10O11/c1-6-36(4)51(57(77)65-46(31-42-32-61-34-62-42)58(78)69-27-13-18-48(69)55(75)66-47(59(79)80)30-37-14-9-7-10-15-37)68-54(74)45(29-39-21-25-43(70)26-22-39)64-56(76)50(35(2)3)67-53(73)44(63-49(71)33-60-5)28-38-19-23-41(24-20-38)52(72)40-16-11-8-12-17-40/h7-12,14-17,19-26,32,34-36,44-48,50-51,60,70H,6,13,18,27-31,33H2,1-5H3,(H,61,62)(H,63,71)(H,64,76)(H,65,77)(H,66,75)(H,67,73)(H,68,74)(H,79,80)/t36-,44-,45-,46-,47-,48-,50-,51-/m0/s1
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18.3n/an/an/an/an/an/an/an/a



Universite de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I][Sar1,Ile8]Ang2 from wild-type human AT1 receptor expressed in CHO cells by gamma counting


J Med Chem 53: 2063-75 (2010)


Article DOI: 10.1021/jm9015747
BindingDB Entry DOI: 10.7270/Q2XD11TP
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50313246
PNG
(CHEMBL1076612 | [Bpa1]AngII)
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)Cc1ccc(cc1)C(=O)c1ccccc1)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/C62H79N13O11/c1-5-37(4)52(59(83)71-48(33-43-34-66-35-68-43)60(84)75-29-13-19-50(75)57(81)72-49(61(85)86)32-38-14-8-6-9-15-38)74-56(80)47(31-40-22-26-44(76)27-23-40)70-58(82)51(36(2)3)73-55(79)46(18-12-28-67-62(64)65)69-54(78)45(63)30-39-20-24-42(25-21-39)53(77)41-16-10-7-11-17-41/h6-11,14-17,20-27,34-37,45-52,76H,5,12-13,18-19,28-33,63H2,1-4H3,(H,66,68)(H,69,78)(H,70,82)(H,71,83)(H,72,81)(H,73,79)(H,74,80)(H,85,86)(H4,64,65,67)/t37-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1
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19.4n/an/an/an/an/an/an/an/a



Universite de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I][Sar1,Ile8]Ang2 from wild-type human AT1 receptor expressed in CHO cells by gamma counting


J Med Chem 53: 2063-75 (2010)


Article DOI: 10.1021/jm9015747
BindingDB Entry DOI: 10.7270/Q2XD11TP
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50175586
PNG
((S)-3-Amino-N-((S)-1-{(S)-1-[(S)-3-[2-[2-((S)-(S)-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(=O)Nc1cc(Cc2ccc(O)cc2)cc(c1)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/C49H62N12O11/c1-27(2)41(60-44(67)36(10-6-16-54-49(51)52)57-43(66)35(50)24-40(63)64)46(69)56-32-20-30(18-29-12-14-34(62)15-13-29)19-31(22-32)42(65)58-37(23-33-25-53-26-55-33)47(70)61-17-7-11-39(61)45(68)59-38(48(71)72)21-28-8-4-3-5-9-28/h3-5,8-9,12-15,19-20,22,25-27,35-39,41,62H,6-7,10-11,16-18,21,23-24,50H2,1-2H3,(H,53,55)(H,56,69)(H,57,66)(H,58,65)(H,59,68)(H,60,67)(H,63,64)(H,71,72)(H4,51,52,54)/t35-,36-,37-,38-,39-,41-/m0/s1
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30.3n/an/an/an/an/an/a7.4n/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for angiotensin II receptor, type 1 in rat liver membrane using [125I]-Ang II as radioligand, in pH 7.4 Tris-HCl buffer for 2 hr at ...


J Med Chem 48: 6620-31 (2005)


Article DOI: 10.1021/jm050280z
BindingDB Entry DOI: 10.7270/Q2HX1DG6
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50175587
PNG
((S)-3-Amino-N-{(S)-1-[3-[(S)-2-[2-((S)-(S)-1-carbo...)
Show SMILES N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)Nc1cc(Cc2ccc(O)cc2)cc(c1)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/C44H53N11O10/c45-32(22-37(57)58)39(60)52-33(8-4-14-49-44(46)47)40(61)51-29-18-27(16-26-10-12-31(56)13-11-26)17-28(20-29)38(59)53-34(21-30-23-48-24-50-30)42(63)55-15-5-9-36(55)41(62)54-35(43(64)65)19-25-6-2-1-3-7-25/h1-3,6-7,10-13,17-18,20,23-24,32-36,56H,4-5,8-9,14-16,19,21-22,45H2,(H,48,50)(H,51,61)(H,52,60)(H,53,59)(H,54,62)(H,57,58)(H,64,65)(H4,46,47,49)/t32-,33-,34-,35-,36-/m0/s1
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41.3n/an/an/an/an/an/a7.4n/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for angiotensin II receptor, type 2 in pig uterus myometrium using [125I]-Ang II as radioligand, in pH 7.4 Tris-HCl buffer for 1.5 h...


J Med Chem 48: 6620-31 (2005)


Article DOI: 10.1021/jm050280z
BindingDB Entry DOI: 10.7270/Q2HX1DG6
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50046541
PNG
(CHEMBL427966 | Tyr-Pro-Ser-Lys-Pro-Asp-c(Glu-Pro-(...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C151H233N45O40/c1-12-78(7)118(141(229)187-106(70-115(155)205)132(220)182-102(64-77(5)6)134(222)192-119(79(8)13-2)142(230)193-120(82(11)199)143(231)178-97(30-21-59-169-151(162)163)124(212)177-98(50-52-114(154)204)128(216)175-96(29-20-58-168-150(160)161)127(215)188-108(147(235)236)68-86-40-48-91(203)49-41-86)191-135(223)104(67-85-38-46-90(202)47-39-85)184-131(219)105(69-87-72-164-75-170-87)185-126(214)95(28-19-57-167-149(158)159)176-129(217)101(63-76(3)4)181-122(210)80(9)171-136(224)109(73-197)189-130(218)103(66-84-36-44-89(201)45-37-84)183-125(213)93-25-15-17-55-165-116(206)53-51-100(146(234)195-61-23-31-111(195)138(226)172-81(10)121(209)173-94(123(211)174-93)27-18-56-166-148(156)157)180-133(221)107(71-117(207)208)186-139(227)113-33-24-62-196(113)145(233)99(26-14-16-54-152)179-137(225)110(74-198)190-140(228)112-32-22-60-194(112)144(232)92(153)65-83-34-42-88(200)43-35-83/h34-49,72,75-82,92-113,118-120,197-203H,12-33,50-71,73-74,152-153H2,1-11H3,(H2,154,204)(H2,155,205)(H,164,170)(H,165,206)(H,171,224)(H,172,226)(H,173,209)(H,174,211)(H,175,216)(H,176,217)(H,177,212)(H,178,231)(H,179,225)(H,180,221)(H,181,210)(H,182,220)(H,183,213)(H,184,219)(H,185,214)(H,186,227)(H,187,229)(H,188,215)(H,189,218)(H,190,228)(H,191,223)(H,192,222)(H,193,230)(H,207,208)(H,235,236)(H4,156,157,166)(H4,158,159,167)(H4,160,161,168)(H4,162,163,169)/t78-,79-,80-,81+,82+,92-,93-,94+,95-,96-,97-,98-,99-,100+,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111+,112-,113+,118-,119-,120-/m0/s1
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96n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Tested against neuropeptide Y1 receptors using SK-N-MC human neuroblastoma cells


J Med Chem 36: 385-93 (1993)


Article DOI: 10.1021/jm00055a010
BindingDB Entry DOI: 10.7270/Q2WS8S96
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50175587
PNG
((S)-3-Amino-N-{(S)-1-[3-[(S)-2-[2-((S)-(S)-1-carbo...)
Show SMILES N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)Nc1cc(Cc2ccc(O)cc2)cc(c1)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/C44H53N11O10/c45-32(22-37(57)58)39(60)52-33(8-4-14-49-44(46)47)40(61)51-29-18-27(16-26-10-12-31(56)13-11-26)17-28(20-29)38(59)53-34(21-30-23-48-24-50-30)42(63)55-15-5-9-36(55)41(62)54-35(43(64)65)19-25-6-2-1-3-7-25/h1-3,6-7,10-13,17-18,20,23-24,32-36,56H,4-5,8-9,14-16,19,21-22,45H2,(H,48,50)(H,51,61)(H,52,60)(H,53,59)(H,54,62)(H,57,58)(H,64,65)(H4,46,47,49)/t32-,33-,34-,35-,36-/m0/s1
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>1.00E+4n/an/an/an/an/an/a7.4n/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for angiotensin II receptor, type 1 in rat liver membrane using [125I]-Ang II as radioligand, in pH 7.4 Tris-HCl buffer for 2 hr at ...


J Med Chem 48: 6620-31 (2005)


Article DOI: 10.1021/jm050280z
BindingDB Entry DOI: 10.7270/Q2HX1DG6
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50175585
PNG
((S)-3-Amino-N-{(S)-1-[3-[(S)-2-[2-((S)-(S)-1-carbo...)
Show SMILES N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1cc(Cc2ccc(O)cc2)cc(c1)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/C45H55N11O10/c46-33(22-38(58)59)40(61)53-34(8-4-14-50-45(47)48)41(62)51-23-29-17-28(16-27-10-12-32(57)13-11-27)18-30(19-29)39(60)54-35(21-31-24-49-25-52-31)43(64)56-15-5-9-37(56)42(63)55-36(44(65)66)20-26-6-2-1-3-7-26/h1-3,6-7,10-13,17-19,24-25,33-37,57H,4-5,8-9,14-16,20-23,46H2,(H,49,52)(H,51,62)(H,53,61)(H,54,60)(H,55,63)(H,58,59)(H,65,66)(H4,47,48,50)/t33-,34-,35-,36-,37-/m0/s1
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>1.00E+4n/an/an/an/an/an/a7.4n/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for angiotensin II receptor, type 1 in rat liver membrane using [125I]-Ang II as radioligand, in pH 7.4 Tris-HCl buffer for 2 hr at ...


J Med Chem 48: 6620-31 (2005)


Article DOI: 10.1021/jm050280z
BindingDB Entry DOI: 10.7270/Q2HX1DG6
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50048128
PNG
(Asp-Arg-Val-Tyr-Val-His-Pro-Phe (Angiotensin II) |...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)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/C49H69N13O12/c1-26(2)39(60-42(67)33(12-8-18-54-49(51)52)56-41(66)32(50)23-38(64)65)45(70)57-34(20-29-14-16-31(63)17-15-29)43(68)61-40(27(3)4)46(71)58-35(22-30-24-53-25-55-30)47(72)62-19-9-13-37(62)44(69)59-36(48(73)74)21-28-10-6-5-7-11-28/h5-7,10-11,14-17,24-27,32-37,39-40,63H,8-9,12-13,18-23,50H2,1-4H3,(H,53,55)(H,56,66)(H,57,70)(H,58,71)(H,59,69)(H,60,67)(H,61,68)(H,64,65)(H,73,74)(H4,51,52,54)/t32-,33-,34-,35-,36-,37-,39-,40-/m0/s1
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7.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of p60 src


J Nat Prod 55: 1529-1560 (1992)


Article DOI: 10.1021/np50089a001
BindingDB Entry DOI: 10.7270/Q2J966CC
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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US Patent
n/an/a 1.80n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. ...


US Patent US9624243 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
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/a 2n/an/an/an/an/an/a


TBA

Assay Description
Angiotensin II receptor antagonist activity was determined by 50% inhibition of specific binding of [3H]angiotensin II (2 nM) to rat adrenal cortical...


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/a 8n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]CGP 42112A from human recombinant AT2 receptor expressed in HEK293 cells measured after 4 hrs by scintillation counting method


Bioorg Med Chem 25: 471-482 (2017)


Article DOI: 10.1016/j.bmc.2016.11.014
BindingDB Entry DOI: 10.7270/Q2CF9S3S
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50048127
PNG
(Angiotensin III | CHEMBL56448)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(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)=O
Show InChI InChI=1S/C40H60N12O11/c1-20(2)31(50-34(57)26(7-5-13-45-40(42)43)47-33(56)25(41)17-30(54)55)36(59)48-27(15-22-9-11-24(53)12-10-22)35(58)51-32(21(3)4)37(60)49-28(16-23-18-44-19-46-23)38(61)52-14-6-8-29(52)39(62)63/h9-12,18-21,25-29,31-32,53H,5-8,13-17,41H2,1-4H3,(H,44,46)(H,47,56)(H,48,59)(H,49,60)(H,50,57)(H,51,58)(H,54,55)(H,62,63)(H4,42,43,45)/t25-,26-,27-,28-,29-,31-,32-/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity to the angiotensin II receptor, type 1 in rat liver


J Med Chem 36: 1902-13 (1993)


Article DOI: 10.1021/jm00065a013
BindingDB Entry DOI: 10.7270/Q2N58KF4
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
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 5.80n/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Dissociation constant for [125 I] Ang binding to type 1 Angiotensin II receptorof bovine adrenocortical membranes


J Med Chem 40: 3271-9 (1997)


Article DOI: 10.1021/jm9608669
BindingDB Entry DOI: 10.7270/Q2GQ6ZZM
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)


Article DOI: 10.1021/jm9507744
BindingDB Entry DOI: 10.7270/Q2S18345
More data for this
Ligand-Target Pair
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)


Article DOI: 10.1021/jm9507744
BindingDB Entry DOI: 10.7270/Q2S18345
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/a 0.724n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-Asp-{Nomega-[N-(4-propanoylaminobutyl)aminocarbonyl]}Arg-ValTyr-Ile-His-Pro-Phe-OH Tris(hydrotrifluoroacetate) from human AT1 re...


J Med Chem 59: 1925-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01495
BindingDB Entry DOI: 10.7270/Q2V69MGK
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/an/a 0.490n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human AT1 receptor transfected in CHO cells co-expressing Galpha16-mtAEQ assessed as induction of intracellular Ca2+ mobilization...


J Med Chem 59: 1925-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01495
BindingDB Entry DOI: 10.7270/Q2V69MGK
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/an/a 0.520n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human AT1 receptor transfected in CHO cells co-expressing Galpha16-mtAEQ assessed as induction of intracellular Ca2+ mobilization...


J Med Chem 59: 1925-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01495
BindingDB Entry DOI: 10.7270/Q2V69MGK
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50048127
PNG
(Angiotensin III | CHEMBL56448)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(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)=O
Show InChI InChI=1S/C40H60N12O11/c1-20(2)31(50-34(57)26(7-5-13-45-40(42)43)47-33(56)25(41)17-30(54)55)36(59)48-27(15-22-9-11-24(53)12-10-22)35(58)51-32(21(3)4)37(60)49-28(16-23-18-44-19-46-23)38(61)52-14-6-8-29(52)39(62)63/h9-12,18-21,25-29,31-32,53H,5-8,13-17,41H2,1-4H3,(H,44,46)(H,47,56)(H,48,59)(H,49,60)(H,50,57)(H,51,58)(H,54,55)(H,62,63)(H4,42,43,45)/t25-,26-,27-,28-,29-,31-,32-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity at angiotensin II (type 2) receptor in rabbit uterus.


J Med Chem 36: 1902-13 (1993)


Article DOI: 10.1021/jm00065a013
BindingDB Entry DOI: 10.7270/Q2N58KF4
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50011973
PNG
(CHEMBL216061 | Sar-Arg-Val-Tyr-Ile-His-Pro-Phe | S...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC)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/C49H71N13O10/c1-6-29(4)41(46(69)58-36(24-32-25-53-27-55-32)47(70)62-21-11-15-38(62)44(67)59-37(48(71)72)23-30-12-8-7-9-13-30)61-43(66)35(22-31-16-18-33(63)19-17-31)57-45(68)40(28(2)3)60-42(65)34(56-39(64)26-52-5)14-10-20-54-49(50)51/h7-9,12-13,16-19,25,27-29,34-38,40-41,52,63H,6,10-11,14-15,20-24,26H2,1-5H3,(H,53,55)(H,56,64)(H,57,68)(H,58,69)(H,59,67)(H,60,65)(H,61,66)(H,71,72)(H4,50,51,54)/t29-,34-,35-,36-,37-,38-,40-,41-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-AII specific binding towards Angiotensin II receptor in rat mesenteric membranes.


J Med Chem 34: 1514-7 (1991)


Article DOI: 10.1021/jm00108a043
BindingDB Entry DOI: 10.7270/Q2TD9WBV
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)


Article DOI: 10.1021/jm9507744
BindingDB Entry DOI: 10.7270/Q2S18345
More data for this
Ligand-Target Pair