Compile Data Set for Download or QSAR
Found 15 Enz. Inhib. hit(s) with all data for entry = 50003480
TargetType-1 angiotensin II receptor A/B(RAT)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50228308(CHEMBL413740)
Show SMILES CC1(C)SSC(C)(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]1C(=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/C49H67N13O12S2/c1-48(2)37(60-40(67)31(12-8-18-54-47(51)52)56-39(66)30(50)23-36(64)65)43(70)57-32(20-27-14-16-29(63)17-15-27)41(68)61-38(49(3,4)76-75-48)44(71)58-33(22-28-24-53-25-55-28)45(72)62-19-9-13-35(62)42(69)59-34(46(73)74)21-26-10-6-5-7-11-26/h5-7,10-11,14-17,24-25,30-35,37-38,63H,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)/t30-,31-,32-,33-,34-,35-,37+,38+/m0/s1
Affinity DataIC50: 0.900nMAssay Description:Inhibitory concentration against [125 I]Ang II binding to rat pituitary membranes Angiotensin II receptor type 1 without 0.2% bovine serum albuminMore data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor A/B(RAT)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50228272(CHEMBL411997)
Show SMILES N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CCSSCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)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/C47H63N13O12S2/c48-30(23-38(62)63)39(64)54-31(8-4-16-52-47(49)50)40(65)55-32-14-18-73-74-19-15-33(56-43(68)34(57-41(32)66)20-27-10-12-29(61)13-11-27)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/h1-3,6-7,10-13,24-25,30-37,61H,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
Affinity DataIC50: 1.70nMAssay Description:Inhibitory concentration against [125 I]Ang II binding to rat pituitary membranes Angiotensin II receptor type 1 without 0.2% bovine serum albuminMore data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor A/B(RAT)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM82258(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)
Affinity DataIC50: 1.80nMAssay Description:Inhibitory concentration against [125 I]Ang II binding to rat pituitary membranes Angiotensin II receptor type 1 without 0.2% bovine serum albuminMore data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor A/B(RAT)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50471553(CHEMBL1791261)
Show SMILES CC[C@@H](C)[C@H](N1CCC(CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)=C[C@H](Cc2ccc(O)cc2)C1=O)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/C50H68N12O11/c1-3-29(2)42(46(69)59-38(24-34-27-54-28-57-34)48(71)61-19-8-12-40(61)45(68)60-39(49(72)73)23-30-9-5-4-6-10-30)62-20-17-32(22-33(47(62)70)21-31-13-15-35(63)16-14-31)26-56-44(67)37(11-7-18-55-50(52)53)58-43(66)36(51)25-41(64)65/h4-6,9-10,13-16,22,27-29,33,36-40,42,63H,3,7-8,11-12,17-21,23-26,51H2,1-2H3,(H,54,57)(H,56,67)(H,58,66)(H,59,69)(H,60,68)(H,64,65)(H,72,73)(H4,52,53,55)/t29-,33+,36+,37+,38+,39+,40+,42+/m1/s1
Affinity DataIC50: 2nMAssay Description:Inhibitory concentration against [125 I]Ang II binding to rat pituitary membranes Angiotensin II receptor type 1 without 0.2% bovine serum albuminMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetType-1 angiotensin II receptor A/B(RAT)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50228195(Angiotensin Ii | CHEBI:2719)
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)[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
Affinity DataIC50: 2nMAssay Description:Inhibitory concentration against [125 I]Ang II binding to rat pituitary membranes Angiotensin II receptor type 1 without 0.2% bovine serum albuminMore data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor A/B(RAT)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50228272(CHEMBL411997)
Show SMILES N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CCSSCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)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/C47H63N13O12S2/c48-30(23-38(62)63)39(64)54-31(8-4-16-52-47(49)50)40(65)55-32-14-18-73-74-19-15-33(56-43(68)34(57-41(32)66)20-27-10-12-29(61)13-11-27)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/h1-3,6-7,10-13,24-25,30-37,61H,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
Affinity DataIC50: 2.10nMAssay Description:Inhibitory concentration against specific binding of [125 I]Ang II to rat uterine membranes (Angiotensin II receptor, type 1)More data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor A/B(RAT)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50228308(CHEMBL413740)
Show SMILES CC1(C)SSC(C)(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]1C(=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/C49H67N13O12S2/c1-48(2)37(60-40(67)31(12-8-18-54-47(51)52)56-39(66)30(50)23-36(64)65)43(70)57-32(20-27-14-16-29(63)17-15-27)41(68)61-38(49(3,4)76-75-48)44(71)58-33(22-28-24-53-25-55-28)45(72)62-19-9-13-35(62)42(69)59-34(46(73)74)21-26-10-6-5-7-11-26/h5-7,10-11,14-17,24-25,30-35,37-38,63H,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)/t30-,31-,32-,33-,34-,35-,37+,38+/m0/s1
Affinity DataIC50: 2.60nMAssay Description:Inhibitory concentration against specific binding of [125 I]Ang II to rat uterine membranes (Angiotensin II receptor, type 1)More data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor A/B(RAT)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50471554(CHEMBL1791267)
Show SMILES CC[C@@H](C)[C@H](N1CCC(CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)=C[C@@H](Cc2ccc(O)cc2)C1=O)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/C50H68N12O11/c1-3-29(2)42(46(69)59-38(24-34-27-54-28-57-34)48(71)61-19-8-12-40(61)45(68)60-39(49(72)73)23-30-9-5-4-6-10-30)62-20-17-32(22-33(47(62)70)21-31-13-15-35(63)16-14-31)26-56-44(67)37(11-7-18-55-50(52)53)58-43(66)36(51)25-41(64)65/h4-6,9-10,13-16,22,27-29,33,36-40,42,63H,3,7-8,11-12,17-21,23-26,51H2,1-2H3,(H,54,57)(H,56,67)(H,58,66)(H,59,69)(H,60,68)(H,64,65)(H,72,73)(H4,52,53,55)/t29-,33-,36+,37+,38+,39+,40+,42+/m1/s1
Affinity DataIC50: 2.80nMAssay Description:Inhibitory concentration against [125 I]Ang II binding to rat pituitary membranes Angiotensin II receptor type 1 without 0.2% bovine serum albuminMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetType-1 angiotensin II receptor A/B(RAT)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50228196(CHEMBL405464)
Show SMILES N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)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/C45H59N13O12S2/c46-28(19-36(60)61)37(62)52-29(8-4-14-50-45(47)48)38(63)56-33-21-71-72-22-34(57-39(64)30(53-40(33)65)16-25-10-12-27(59)13-11-25)41(66)54-31(18-26-20-49-23-51-26)43(68)58-15-5-9-35(58)42(67)55-32(44(69)70)17-24-6-2-1-3-7-24/h1-3,6-7,10-13,20,23,28-35,59H,4-5,8-9,14-19,21-22,46H2,(H,49,51)(H,52,62)(H,53,65)(H,54,66)(H,55,67)(H,56,63)(H,57,64)(H,60,61)(H,69,70)(H4,47,48,50)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1
Affinity DataIC50: 2.90nMAssay Description:Inhibitory concentration against [125 I]Ang II binding to rat pituitary membranes Angiotensin II receptor type 1 without 0.2% bovine serum albuminMore data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor A/B(RAT)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50228308(CHEMBL413740)
Show SMILES CC1(C)SSC(C)(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]1C(=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/C49H67N13O12S2/c1-48(2)37(60-40(67)31(12-8-18-54-47(51)52)56-39(66)30(50)23-36(64)65)43(70)57-32(20-27-14-16-29(63)17-15-27)41(68)61-38(49(3,4)76-75-48)44(71)58-33(22-28-24-53-25-55-28)45(72)62-19-9-13-35(62)42(69)59-34(46(73)74)21-26-10-6-5-7-11-26/h5-7,10-11,14-17,24-25,30-35,37-38,63H,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)/t30-,31-,32-,33-,34-,35-,37+,38+/m0/s1
Affinity DataIC50: 3.80nMAssay Description:Inhibitory concentration against specific binding of [125 I]Ang II to rat pituitary membranes (Angiotensin II receptor, type 1) in presence of 0.2% b...More data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor A/B(RAT)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50228272(CHEMBL411997)
Show SMILES N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CCSSCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)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/C47H63N13O12S2/c48-30(23-38(62)63)39(64)54-31(8-4-16-52-47(49)50)40(65)55-32-14-18-73-74-19-15-33(56-43(68)34(57-41(32)66)20-27-10-12-29(61)13-11-27)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/h1-3,6-7,10-13,24-25,30-37,61H,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
Affinity DataIC50: 15nMAssay Description:Inhibitory concentration against specific binding of [125 I]Ang II to rat pituitary membranes (Angiotensin II receptor, type 1) in presence of 0.2% b...More data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor A/B(RAT)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50228196(CHEMBL405464)
Show SMILES N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)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/C45H59N13O12S2/c46-28(19-36(60)61)37(62)52-29(8-4-14-50-45(47)48)38(63)56-33-21-71-72-22-34(57-39(64)30(53-40(33)65)16-25-10-12-27(59)13-11-25)41(66)54-31(18-26-20-49-23-51-26)43(68)58-15-5-9-35(58)42(67)55-32(44(69)70)17-24-6-2-1-3-7-24/h1-3,6-7,10-13,20,23,28-35,59H,4-5,8-9,14-19,21-22,46H2,(H,49,51)(H,52,62)(H,53,65)(H,54,66)(H,55,67)(H,56,63)(H,57,64)(H,60,61)(H,69,70)(H4,47,48,50)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1
Affinity DataIC50: 28nMAssay Description:Inhibitory concentration against specific binding of [125 I]Ang II to rat pituitary membranes (Angiotensin II receptor, type 1) in presence of 0.2% b...More data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor A/B(RAT)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50228196(CHEMBL405464)
Show SMILES N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)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/C45H59N13O12S2/c46-28(19-36(60)61)37(62)52-29(8-4-14-50-45(47)48)38(63)56-33-21-71-72-22-34(57-39(64)30(53-40(33)65)16-25-10-12-27(59)13-11-25)41(66)54-31(18-26-20-49-23-51-26)43(68)58-15-5-9-35(58)42(67)55-32(44(69)70)17-24-6-2-1-3-7-24/h1-3,6-7,10-13,20,23,28-35,59H,4-5,8-9,14-19,21-22,46H2,(H,49,51)(H,52,62)(H,53,65)(H,54,66)(H,55,67)(H,56,63)(H,57,64)(H,60,61)(H,69,70)(H4,47,48,50)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1
Affinity DataIC50: 43nMAssay Description:Inhibitory concentration against specific binding of [125 I]Ang II to rat uterine membranes (Angiotensin II receptor, type 1)More data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor A/B(RAT)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50471552(CHEMBL1791262)
Show SMILES CC[C@@H](C)[C@H](N1Cc2cc(NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)ccc2[C@H](Cc2ccc(O)cc2)C1=O)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/C52H66N12O11/c1-3-29(2)44(48(71)61-40(24-34-26-56-28-58-34)50(73)63-20-8-12-42(63)47(70)62-41(51(74)75)22-30-9-5-4-6-10-30)64-27-32-23-33(15-18-36(32)37(49(64)72)21-31-13-16-35(65)17-14-31)59-46(69)39(11-7-19-57-52(54)55)60-45(68)38(53)25-43(66)67/h4-6,9-10,13-18,23,26,28-29,37-42,44,65H,3,7-8,11-12,19-22,24-25,27,53H2,1-2H3,(H,56,58)(H,59,69)(H,60,68)(H,61,71)(H,62,70)(H,66,67)(H,74,75)(H4,54,55,57)/t29-,37+,38+,39+,40+,41+,42+,44+/m1/s1
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibitory concentration against [125 I]Ang II binding to rat pituitary membranes Angiotensin II receptor type 1 without 0.2% bovine serum albuminMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetType-1 angiotensin II receptor A/B(RAT)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50369331(CHEMBL1791259)
Show SMILES CC[C@@H](C)[C@H](N1Cc2cc(NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)ccc2[C@@H](Cc2ccc(O)cc2)C1=O)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/C52H66N12O11/c1-3-29(2)44(48(71)61-40(24-34-26-56-28-58-34)50(73)63-20-8-12-42(63)47(70)62-41(51(74)75)22-30-9-5-4-6-10-30)64-27-32-23-33(15-18-36(32)37(49(64)72)21-31-13-16-35(65)17-14-31)59-46(69)39(11-7-19-57-52(54)55)60-45(68)38(53)25-43(66)67/h4-6,9-10,13-18,23,26,28-29,37-42,44,65H,3,7-8,11-12,19-22,24-25,27,53H2,1-2H3,(H,56,58)(H,59,69)(H,60,68)(H,61,71)(H,62,70)(H,66,67)(H,74,75)(H4,54,55,57)/t29-,37-,38+,39+,40+,41+,42+,44+/m1/s1
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibitory concentration against [125 I]Ang II binding to rat pituitary membranes Angiotensin II receptor type 1 without 0.2% bovine serum albuminMore data for this Ligand-Target Pair