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Compile Data Set for Download or QSAR

Found 831 hits Enz. Inhib. hit(s) with Target = 'Angiotensin II AT2' AND taxid = 10116   
Target
(Institution)
LigandTarget
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 AT2


(RAT)
BDBM82431
PNG
(L-162,193 | L-162193 | N-[[4-[[[6-[4-(Cyclopropylc...)
Show SMILES CCCCOC(=O)N[S](=O)(=O)c1ccccc1-c1ccc(Cn2c(CCCC)nc3ccc(cc3c2=O)N2CCN(CC2)C(=O)C2CC2)cc1
Show InChI InChI=1S/C38H45N5O6S/c1-3-5-11-35-39-33-19-18-30(41-20-22-42(23-21-41)36(44)29-16-17-29)25-32(33)37(45)43(35)26-27-12-14-28(15-13-27)31-9-7-8-10-34(31)50(47,48)40-38(46)49-24-6-4-2/h7-10,12-15,18-19,25,29H,3-6,11,16-17,20-24,26H2,1-2H3,(H,40,46)
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0.0600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82435
PNG
(1-[2,4,6-Trichlorophenyl]-3-butyl-4-[[2'-(1H-t...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C28H23Cl3N6O2/c1-2-3-8-24-21(25(28(38)39)37(34-24)26-22(30)14-18(29)15-23(26)31)13-16-9-11-17(12-10-16)19-6-4-5-7-20(19)27-32-35-36-33-27/h4-7,9-12,14-15H,2-3,8,13H2,1H3,(H,38,39)(H,32,33,35,36)
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0.25n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82077
PNG
(Angiotensin II | CAS_11128-99-7 | NSC_439662)
Show SMILES CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(N)CC(O)=O)C(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(C)=O
Show InChI InChI=1S/C57H80N16O12/c1-6-32(4)48(72-52(81)42(23-35-16-18-38(75)19-17-35)68-54(83)47(31(2)3)71-50(79)40(14-10-20-63-57(59)60)66-49(78)39(58)26-46(76)77)55(84)69-43(24-36-27-61-29-64-36)51(80)70-44(25-37-28-62-30-65-37)56(85)73-21-11-15-45(73)53(82)67-41(33(5)74)22-34-12-8-7-9-13-34/h7-9,12-13,16-19,27-32,39-45,47-48,75H,6,10-11,14-15,20-26,58H2,1-5H3,(H,61,64)(H,62,65)(H,66,78)(H,67,82)(H,68,83)(H,69,84)(H,70,80)(H,71,79)(H,72,81)(H,76,77)(H4,59,60,63)
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0.310n/an/an/an/an/an/an/an/a



Shinshu University

Curated by PDSP Ki Database




Fundam Clin Pharmacol 16: 317-23 (2002)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82259
PNG
(CAS_123856 | L-158,809 | NSC_123856)
Show SMILES CCc1nc2c(C)cc(C)nc2n1-c1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C23H21N7/c1-4-20-25-21-14(2)13-15(3)24-23(21)30(20)17-11-9-16(10-12-17)18-7-5-6-8-19(18)22-26-28-29-27-22/h5-13H,4H2,1-3H3,(H,26,27,28,29)
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0.310n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50030727
PNG
(4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C33H29F3N4O4S/c1-2-3-17-30-37-40(28-15-9-8-14-27(28)33(34,35)36)32(42)39(30)22-23-18-20-24(21-19-23)26-13-7-10-16-29(26)45(43,44)38-31(41)25-11-5-4-6-12-25/h4-16,18-21H,2-3,17,22H2,1H3,(H,38,41)
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0.320n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM86060
PNG
(CAS_123794 | CGP 42112 | NSC_123794)
Show SMILES CCC(C)C(NC(=O)C1CCCN1C(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCCNC(=O)C(CCCN=C(N)N)NC(=O)OCc1ccccc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccnc1)C(O)=O
Show InChI InChI=1S/C52H69N13O11/c1-3-32(2)43(50(73)74)64-48(71)42-17-11-25-65(42)49(72)41(27-36-29-56-31-59-36)62-46(69)39(60-47(70)40(26-33-18-20-37(66)21-19-33)61-44(67)35-14-9-22-55-28-35)15-7-8-23-57-45(68)38(16-10-24-58-51(53)54)63-52(75)76-30-34-12-5-4-6-13-34/h4-6,9,12-14,18-22,28-29,31-32,38-43,66H,3,7-8,10-11,15-17,23-27,30H2,1-2H3,(H,56,59)(H,57,68)(H,60,70)(H,61,67)(H,62,69)(H,63,75)(H,64,71)(H,73,74)(H4,53,54,58)
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0.370n/an/an/an/an/an/an/an/a



Shinshu University

Curated by PDSP Ki Database




Fundam Clin Pharmacol 16: 317-23 (2002)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82436
PNG
(1-(2,6-Dichlorophenyl)-4-[[2'-(1H-tetrazol-5-y...)
Show SMILES CCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C27H22Cl2N6O2/c1-2-6-23-20(24(27(36)37)35(32-23)25-21(28)9-5-10-22(25)29)15-16-11-13-17(14-12-16)18-7-3-4-8-19(18)26-30-33-34-31-26/h3-5,7-14H,2,6,15H2,1H3,(H,36,37)(H,30,31,33,34)
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0.720n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50042746
PNG
(CHEMBL122212 | L-159,882 | [4-(2-Ethyl-5,7-dimethy...)
Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)cc(CCC)c1OC(C(O)=O)c1ccccc1
Show InChI InChI=1S/C31H37N3O3/c1-6-12-24-17-22(19-34-26(8-3)33-27-20(4)16-21(5)32-30(27)34)18-25(13-7-2)28(24)37-29(31(35)36)23-14-10-9-11-15-23/h9-11,14-18,29H,6-8,12-13,19H2,1-5H3,(H,35,36)
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0.800n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82433
PNG
(CHEMBL302102 | L-159,689 | L-159689 | N-Pentyl-N-[...)
Show SMILES CCCCCN(C(=O)c1ccccc1)c1ccc2nc(CCC)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c(=O)c2c1
Show InChI InChI=1S/C37H37N7O2/c1-3-5-11-23-43(36(45)28-13-7-6-8-14-28)29-21-22-33-32(24-29)37(46)44(34(38-33)12-4-2)25-26-17-19-27(20-18-26)30-15-9-10-16-31(30)35-39-41-42-40-35/h6-10,13-22,24H,3-5,11-12,23,25H2,1-2H3,(H,39,40,41,42)
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0.840n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50006909
PNG
(2-Butyl-5-chloro-3-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H21ClN6O2/c1-2-3-8-18-24-20(23)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,30,31)(H,25,26,27,28)
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0.890n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82434
PNG
(2-Butyl-6-(dimethylamino)-3-[[2-(cyclopropylcarbon...)
Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1[S](=O)(=O)CC(=O)C1CC1)N(C)C
Show InChI InChI=1S/C32H35N3O4S/c1-4-5-10-31-33-28-18-17-25(34(2)3)19-27(28)32(37)35(31)20-22-11-13-23(14-12-22)26-8-6-7-9-30(26)40(38,39)21-29(36)24-15-16-24/h6-9,11-14,17-19,24H,4-5,10,15-16,20-21H2,1-3H3
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0.910n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82430
PNG
(2-Propyl-3-[[2'-(1H-tetrazol-5-yl)biphenyl-4-y...)
Show SMILES CCCc1nc2ccc(Nc3ccccc3)cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C31H27N7O/c1-2-8-29-33-28-18-17-24(32-23-9-4-3-5-10-23)19-27(28)31(39)38(29)20-21-13-15-22(16-14-21)25-11-6-7-12-26(25)30-34-36-37-35-30/h3-7,9-19,32H,2,8,20H2,1H3,(H,34,35,36,37)
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1.04n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82260
PNG
(U-97018)
Show SMILES CCCCc1nc2CN3C4CCC(CC4)N3C(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C29H32N8O/c1-2-3-8-26-30-25-18-36-21-13-15-22(16-14-21)37(36)29(38)27(25)35(26)17-19-9-11-20(12-10-19)23-6-4-5-7-24(23)28-31-33-34-32-28/h4-7,9-12,21-22H,2-3,8,13-18H2,1H3,(H,31,32,33,34)
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1.30n/an/an/an/an/an/an/an/a



Upjohn Pharmaceuticals Limited

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1042-53 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82259
PNG
(CAS_123856 | L-158,809 | NSC_123856)
Show SMILES CCc1nc2c(C)cc(C)nc2n1-c1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C23H21N7/c1-4-20-25-21-14(2)13-15(3)24-23(21)30(20)17-11-9-16(10-12-17)18-7-5-6-8-19(18)22-26-28-29-27-22/h5-13H,4H2,1-3H3,(H,26,27,28,29)
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1.40n/an/an/an/an/an/an/an/a



Upjohn Pharmaceuticals Limited

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1042-53 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50009338
PNG
((S)-2-((S)-1-((S)-2-((S)-2-((S)-2-((S)-2-((S)-5-(d...)
Show SMILES CNCC(=O)N[C@@H](CCCN=C(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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PubMed
1.60n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82432
PNG
(L-159,530 | L-159530 | N-Propyl-N-[[2-propyl-3-[[2...)
Show SMILES CCCN(C(=O)OCC(C)C)c1ccc2nc(CCC)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c(=O)c2c1
Show InChI InChI=1S/C33H37N7O3/c1-5-9-30-34-29-17-16-25(39(18-6-2)33(42)43-21-22(3)4)19-28(29)32(41)40(30)20-23-12-14-24(15-13-23)26-10-7-8-11-27(26)31-35-37-38-36-31/h7-8,10-17,19,22H,5-6,9,18,20-21H2,1-4H3,(H,35,36,37,38)
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1.66n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82429
PNG
(2-Ethyl-7-methyl-3-[[2'-(1H-tetrazol-5-yl)biph...)
Show InChI InChI=1S/C25H24N8O3S/c1-4-21-27-22-15(2)13-20(25(34)30-37(3,35)36)26-24(22)33(21)14-16-9-11-17(12-10-16)18-7-5-6-8-19(18)23-28-31-32-29-23/h5-13H,4,14H2,1-3H3,(H,30,34)(H,28,29,31,32)
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1.96n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82260
PNG
(U-97018)
Show SMILES CCCCc1nc2CN3C4CCC(CC4)N3C(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C29H32N8O/c1-2-3-8-26-30-25-18-36-21-13-15-22(16-14-21)37(36)29(38)27(25)35(26)17-19-9-11-20(12-10-19)23-6-4-5-7-24(23)28-31-33-34-32-28/h4-7,9-12,21-22H,2-3,8,13-18H2,1H3,(H,31,32,33,34)
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7.70n/an/an/an/an/an/an/an/a



Upjohn Pharmaceuticals Limited

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1042-53 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82259
PNG
(CAS_123856 | L-158,809 | NSC_123856)
Show SMILES CCc1nc2c(C)cc(C)nc2n1-c1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C23H21N7/c1-4-20-25-21-14(2)13-15(3)24-23(21)30(20)17-11-9-16(10-12-17)18-7-5-6-8-19(18)22-26-28-29-27-22/h5-13H,4H2,1-3H3,(H,26,27,28,29)
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7.90n/an/an/an/an/an/an/an/a



Upjohn Pharmaceuticals Limited

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1042-53 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82259
PNG
(CAS_123856 | L-158,809 | NSC_123856)
Show SMILES CCc1nc2c(C)cc(C)nc2n1-c1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C23H21N7/c1-4-20-25-21-14(2)13-15(3)24-23(21)30(20)17-11-9-16(10-12-17)18-7-5-6-8-19(18)22-26-28-29-27-22/h5-13H,4H2,1-3H3,(H,26,27,28,29)
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11.7n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50010361
PNG
((S)-1-(4-Amino-3-methyl-benzyl)-5-diphenylacetyl-4...)
Show SMILES Cc1cc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)ccc1N
Show InChI InChI=1S/C29H28N4O3/c1-19-14-20(12-13-23(19)30)16-32-18-31-24-17-33(26(29(35)36)15-25(24)32)28(34)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-14,18,26-27H,15-17,30H2,1H3,(H,35,36)/t26-/m0/s1
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14.1n/an/an/an/an/an/an/an/a



Upjohn Pharmaceuticals Limited

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1042-53 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50030727
PNG
(4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C33H29F3N4O4S/c1-2-3-17-30-37-40(28-15-9-8-14-27(28)33(34,35)36)32(42)39(30)22-23-18-20-24(21-19-23)26-13-7-10-16-29(26)45(43,44)38-31(41)25-11-5-4-6-12-25/h4-16,18-21H,2-3,17,22H2,1H3,(H,38,41)
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14.2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50035451
PNG
(2-{4-[3-butyl-5-oxo-1-(2-trifluoromethylphenyl)-4,...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C31H33F3N4O5S/c1-5-6-15-27-35-38(25-13-9-8-12-24(25)31(32,33)34)29(40)37(27)20-21-16-18-22(19-17-21)23-11-7-10-14-26(23)44(41,42)36-28(39)43-30(2,3)4/h7-14,16-19H,5-6,15,20H2,1-4H3,(H,36,39)
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17n/an/an/an/an/an/an/an/a



NeoGenesis, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Angiotensin II receptor, type 2


J Med Chem 43: 1993-2006 (2000)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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33.8n/an/an/an/an/an/an/an/a



Upjohn Pharmaceuticals Limited

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1042-53 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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45.7n/an/an/an/an/an/an/an/a



Upjohn Pharmaceuticals Limited

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1042-53 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82431
PNG
(L-162,193 | L-162193 | N-[[4-[[[6-[4-(Cyclopropylc...)
Show SMILES CCCCOC(=O)N[S](=O)(=O)c1ccccc1-c1ccc(Cn2c(CCCC)nc3ccc(cc3c2=O)N2CCN(CC2)C(=O)C2CC2)cc1
Show InChI InChI=1S/C38H45N5O6S/c1-3-5-11-35-39-33-19-18-30(41-20-22-42(23-21-41)36(44)29-16-17-29)25-32(33)37(45)43(35)26-27-12-14-28(15-13-27)31-9-7-8-10-34(31)50(47,48)40-38(46)49-24-6-4-2/h7-10,12-15,18-19,25,29H,3-6,11,16-17,20-24,26H2,1-2H3,(H,40,46)
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51.6n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50042746
PNG
(CHEMBL122212 | L-159,882 | [4-(2-Ethyl-5,7-dimethy...)
Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)cc(CCC)c1OC(C(O)=O)c1ccccc1
Show InChI InChI=1S/C31H37N3O3/c1-6-12-24-17-22(19-34-26(8-3)33-27-20(4)16-21(5)32-30(27)34)18-25(13-7-2)28(24)37-29(31(35)36)23-14-10-9-11-15-23/h9-11,14-18,29H,6-8,12-13,19H2,1-5H3,(H,35,36)
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127n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50035441
PNG
(4'-[3-Butyl-1-(3-nitro-phenyl)-5-oxo-1,5-dihydro-[...)
Show SMILES CCCCc1nn(-c2cccc(c2)[N+]([O-])=O)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C32H28ClN5O6S/c1-2-3-15-30-34-37(24-9-8-10-25(20-24)38(41)42)32(40)36(30)21-22-16-18-23(19-17-22)26-11-5-7-14-29(26)45(43,44)35-31(39)27-12-4-6-13-28(27)33/h4-14,16-20H,2-3,15,21H2,1H3,(H,35,39)
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173n/an/an/an/an/an/an/an/a



NeoGenesis, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Angiotensin II receptor, type 2


J Med Chem 43: 1993-2006 (2000)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50006909
PNG
(2-Butyl-5-chloro-3-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H21ClN6O2/c1-2-3-8-18-24-20(23)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,30,31)(H,25,26,27,28)
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203n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50041700
PNG
(2-{2-Butyl-4-oxo-3-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nc2ccn(CC(=O)N(c3ccccc3)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C38H34N8O2/c1-2-3-18-34-39-33-23-24-44(26-35(47)46(29-12-6-4-7-13-29)30-14-8-5-9-15-30)38(48)36(33)45(34)25-27-19-21-28(22-20-27)31-16-10-11-17-32(31)37-40-42-43-41-37/h4-17,19-24H,2-3,18,25-26H2,1H3,(H,40,41,42,43)
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300n/an/an/an/an/an/an/an/a



E. Merck

Curated by ChEMBL


Assay Description
Binding affinity against angiotensin II receptor type 2 (AT2) of rat adrenal medulla.


J Med Chem 37: 1632-45 (1994)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82429
PNG
(2-Ethyl-7-methyl-3-[[2'-(1H-tetrazol-5-yl)biph...)
Show InChI InChI=1S/C25H24N8O3S/c1-4-21-27-22-15(2)13-20(25(34)30-37(3,35)36)26-24(22)33(21)14-16-9-11-17(12-10-16)18-7-5-6-8-19(18)23-28-31-32-29-23/h5-13H,4,14H2,1-3H3,(H,30,34)(H,28,29,31,32)
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329n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82433
PNG
(CHEMBL302102 | L-159,689 | L-159689 | N-Pentyl-N-[...)
Show SMILES CCCCCN(C(=O)c1ccccc1)c1ccc2nc(CCC)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c(=O)c2c1
Show InChI InChI=1S/C37H37N7O2/c1-3-5-11-23-43(36(45)28-13-7-6-8-14-28)29-21-22-33-32(24-29)37(46)44(34(38-33)12-4-2)25-26-17-19-27(20-18-26)30-15-9-10-16-31(30)35-39-41-42-40-35/h6-10,13-22,24H,3-5,11-12,23,25H2,1-2H3,(H,39,40,41,42)
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351n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82434
PNG
(2-Butyl-6-(dimethylamino)-3-[[2-(cyclopropylcarbon...)
Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1[S](=O)(=O)CC(=O)C1CC1)N(C)C
Show InChI InChI=1S/C32H35N3O4S/c1-4-5-10-31-33-28-18-17-25(34(2)3)19-27(28)32(37)35(31)20-22-11-13-23(14-12-22)26-8-6-7-9-30(26)40(38,39)21-29(36)24-15-16-24/h6-9,11-14,17-19,24H,4-5,10,15-16,20-21H2,1-3H3
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437n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82436
PNG
(1-(2,6-Dichlorophenyl)-4-[[2'-(1H-tetrazol-5-y...)
Show SMILES CCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C27H22Cl2N6O2/c1-2-6-23-20(24(27(36)37)35(32-23)25-21(28)9-5-10-22(25)29)15-16-11-13-17(14-12-16)18-7-3-4-8-19(18)26-30-33-34-31-26/h3-5,7-14H,2,6,15H2,1H3,(H,36,37)(H,30,31,33,34)
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526n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82435
PNG
(1-[2,4,6-Trichlorophenyl]-3-butyl-4-[[2'-(1H-t...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C28H23Cl3N6O2/c1-2-3-8-24-21(25(28(38)39)37(34-24)26-22(30)14-18(29)15-23(26)31)13-16-9-11-17(12-10-16)19-6-4-5-7-20(19)27-32-35-36-33-27/h4-7,9-12,14-15H,2-3,8,13H2,1H3,(H,38,39)(H,32,33,35,36)
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570n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50171290
PNG
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-ethyl...)
Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
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Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Sanofi-Synthelabo Recherche

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82432
PNG
(L-159,530 | L-159530 | N-Propyl-N-[[2-propyl-3-[[2...)
Show SMILES CCCN(C(=O)OCC(C)C)c1ccc2nc(CCC)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c(=O)c2c1
Show InChI InChI=1S/C33H37N7O3/c1-5-9-30-34-29-17-16-25(39(18-6-2)33(42)43-21-22(3)4)19-28(29)32(41)40(30)20-23-12-14-24(15-13-23)26-10-7-8-11-27(26)31-35-37-38-36-31/h7-8,10-17,19,22H,5-6,9,18,20-21H2,1-4H3,(H,35,36,37,38)
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1.01E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82430
PNG
(2-Propyl-3-[[2'-(1H-tetrazol-5-yl)biphenyl-4-y...)
Show SMILES CCCc1nc2ccc(Nc3ccccc3)cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C31H27N7O/c1-2-8-29-33-28-18-17-24(32-23-9-4-3-5-10-23)19-27(28)31(39)38(29)20-21-13-15-22(16-14-21)25-11-6-7-12-26(25)30-34-36-37-35-30/h3-7,9-19,32H,2,8,20H2,1H3,(H,34,35,36,37)
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1.03E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82260
PNG
(U-97018)
Show SMILES CCCCc1nc2CN3C4CCC(CC4)N3C(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C29H32N8O/c1-2-3-8-26-30-25-18-36-21-13-15-22(16-14-21)37(36)29(38)27(25)35(26)17-19-9-11-20(12-10-19)23-6-4-5-7-24(23)28-31-33-34-32-28/h4-7,9-12,21-22H,2-3,8,13-18H2,1H3,(H,31,32,33,34)
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3.00E+3n/an/an/an/an/an/an/an/a



Upjohn Pharmaceuticals Limited

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1042-53 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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3.00E+3n/an/an/an/an/an/an/an/a



Upjohn Pharmaceuticals Limited

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1042-53 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82259
PNG
(CAS_123856 | L-158,809 | NSC_123856)
Show SMILES CCc1nc2c(C)cc(C)nc2n1-c1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C23H21N7/c1-4-20-25-21-14(2)13-15(3)24-23(21)30(20)17-11-9-16(10-12-17)18-7-5-6-8-19(18)22-26-28-29-27-22/h5-13H,4H2,1-3H3,(H,26,27,28,29)
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3.00E+3n/an/an/an/an/an/an/an/a



Upjohn Pharmaceuticals Limited

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1042-53 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82428
PNG
(CAS_124750-95-4 | CB91356279 | CHEMBL443269 | DuP ...)
Show SMILES CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C23H19F5N6O2/c1-2-5-17-29-19(22(24,25)23(26,27)28)18(21(35)36)34(17)12-13-8-10-14(11-9-13)15-6-3-4-7-16(15)20-30-32-33-31-20/h3-4,6-11H,2,5,12H2,1H3,(H,35,36)(H,30,31,32,33)
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5.77E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50449917
PNG
(BMS-180560 | CHEMBL2021417)
Show SMILES [Li+].[Li]O.CCCCc1nc(Cl)c(C([O-])=O)n1Cc1cccc2n(ccc12)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C24H22ClN7O2.2Li.H2O/c1-2-3-11-20-26-22(25)21(24(33)34)32(20)14-15-7-6-10-18-16(15)12-13-31(18)19-9-5-4-8-17(19)23-27-29-30-28-23;;;/h4-10,12-13H,2-3,11,14H2,1H3,(H,33,34)(H,27,28,29,30);;;1H2/q;2*+1;/p-2
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6.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Receptor binding affinity for Angiotensin II receptor, type 2 determined


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50287290
PNG
(CHEMBL34866 | KRH-594 | Potassium; 2-[5-ethyl-3-[2...)
Show SMILES CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=NC(=O)C2=C(CCC2)C([O-])=O)s1
Show InChI InChI=1S/C25H23N7O3S/c1-2-21-29-32(25(36-21)26-23(33)19-8-5-9-20(19)24(34)35)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-30-31-28-22/h3-4,6-7,10-13H,2,5,8-9,14H2,1H3,(H,34,35)(H,27,28,30,31)/p-1
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9.36E+3n/an/an/an/an/an/an/an/a



Shinshu University

Curated by PDSP Ki Database




Fundam Clin Pharmacol 16: 317-23 (2002)

More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50199332
PNG
(CHEMBL216688 | N-butyloxycarbonyl-3-(4-imidazol-1-...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CCC)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C22H27N3O4S2/c1-3-5-13-29-22(26)24-31(27,28)21-20(14-19(30-21)6-4-2)18-9-7-17(8-10-18)15-25-12-11-23-16-25/h7-12,14,16H,3-6,13,15H2,1-2H3,(H,24,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]Ang2 from AT2 receptor in rat liver membrane


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50199326
PNG
(CHEMBL217673 | N-butyloxycarbonyl-2-(4-imidazol-1-...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C25H31N3O4S/c1-4-5-14-32-25(29)27-33(30,31)24-11-8-21(15-19(2)3)16-23(24)22-9-6-20(7-10-22)17-28-13-12-26-18-28/h6-13,16,18-19H,4-5,14-15,17H2,1-3H3,(H,27,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]Ang2 from AT2 receptor in rat liver membrane


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50199330
PNG
(CHEMBL217752 | N-butyloxycarbonyl-3-(4-imidazol-1-...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CCOC)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C22H27N3O5S2/c1-3-4-12-30-22(26)24-32(27,28)21-20(14-19(31-21)9-13-29-2)18-7-5-17(6-8-18)15-25-11-10-23-16-25/h5-8,10-11,14,16H,3-4,9,12-13,15H2,1-2H3,(H,24,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]Ang2 from AT2 receptor in rat liver membrane


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50199328
PNG
(CHEMBL386172 | N-(methyloxy-ethyloxycarbonyl)-3-(4...)
Show SMILES COCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C22H27N3O5S2/c1-16(2)12-19-13-20(18-6-4-17(5-7-18)14-25-9-8-23-15-25)21(31-19)32(27,28)24-22(26)30-11-10-29-3/h4-9,13,15-16H,10-12,14H2,1-3H3,(H,24,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]Ang2 from AT2 receptor in rat liver membrane


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50199311
PNG
(CHEMBL215160 | N-butyloxycarbonyl-2-(4-imidazol-1-...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccc(OCCCC)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C25H31N3O5S/c1-3-5-15-32-22-11-12-24(34(30,31)27-25(29)33-16-6-4-2)23(17-22)21-9-7-20(8-10-21)18-28-14-13-26-19-28/h7-14,17,19H,3-6,15-16,18H2,1-2H3,(H,27,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]Ang2 from AT2 receptor in rat liver membrane


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50199312
PNG
(CHEMBL217249 | N-butyloxycarbonyl-3-(4-imidazol-1-...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CCCC)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C23H29N3O4S2/c1-3-5-7-20-15-21(19-10-8-18(9-11-19)16-26-13-12-24-17-26)22(31-20)32(28,29)25-23(27)30-14-6-4-2/h8-13,15,17H,3-7,14,16H2,1-2H3,(H,25,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]Ang2 from AT2 receptor in rat liver membrane


Citation and Details
More data for this
Ligand-Target Pair
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