Compile Data Set for Download or QSAR
Found 4 Enz. Inhib. hit(s) with all data for entry = 50037782
TargetType-2 angiotensin II receptor(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50370375(CHEMBL268815)
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](Cc1ccc(N)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C53H74N12O12/c1-5-30(4)44(50(74)61-39(26-32-15-19-34(54)20-16-32)51(75)65-24-10-14-41(65)48(72)62-40(52(76)77)27-31-11-7-6-8-12-31)64-47(71)38(25-33-17-21-35(66)22-18-33)60-49(73)43(29(2)3)63-46(70)37(13-9-23-58-53(56)57)59-45(69)36(55)28-42(67)68/h6-8,11-12,15-22,29-30,36-41,43-44,66H,5,9-10,13-14,23-28,54-55H2,1-4H3,(H,59,69)(H,60,73)(H,61,74)(H,62,72)(H,63,70)(H,64,71)(H,67,68)(H,76,77)(H4,56,57,58)/t30-,36+,37+,38+,39+,40+,41+,43+,44+/m1/s1
Affinity DataKi:  0.700nMAssay Description:Displacement of [125I]Ang2 from AT2 receptor in pig uterus myometriumMore data for this Ligand-Target Pair
TargetType-2 angiotensin II receptor(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50195697((3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(2S)-2-[(2S)-bu...)
Show SMILES CC[C@H](C)[C@@H]1Nc2c(Cc3ccc(O)cc3)cc(NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)cc2CN(CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(O)=O)C1=O
Show InChI InChI=1S/C57H76N14O12/c1-5-32(4)48-55(81)70(29-45(73)65-42(25-38-27-61-30-63-38)54(80)71-20-10-14-44(71)52(78)67-43(56(82)83)22-33-11-7-6-8-12-33)28-36-24-37(23-35(49(36)68-48)21-34-15-17-39(72)18-16-34)64-53(79)47(31(2)3)69-51(77)41(13-9-19-62-57(59)60)66-50(76)40(58)26-46(74)75/h6-8,11-12,15-18,23-24,27,30-32,40-44,47-48,68,72H,5,9-10,13-14,19-22,25-26,28-29,58H2,1-4H3,(H,61,63)(H,64,79)(H,65,73)(H,66,76)(H,67,78)(H,69,77)(H,74,75)(H,82,83)(H4,59,60,62)/t32-,40-,41-,42-,43-,44-,47-,48-/m0/s1
Affinity DataKi:  1.80nMAssay Description:Displacement of [125I]Ang2 from AT2 receptor in pig uterus myometriumMore data for this Ligand-Target Pair
TargetType-2 angiotensin II receptor(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50195698((3S)-3-amino-3-{[(1S)-1-{[(2S)-2-[(2S)-butan-2-yl]...)
Show SMILES CC[C@H](C)[C@@H]1Nc2c(Cc3ccc(O)cc3)cc(NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)cc2CN(CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(O)=O)C1=O
Show InChI InChI=1S/C52H67N13O11/c1-3-29(2)44-50(74)64(27-42(67)60-39(23-35-25-56-28-58-35)49(73)65-18-8-12-41(65)48(72)62-40(51(75)76)20-30-9-5-4-6-10-30)26-33-22-34(21-32(45(33)63-44)19-31-13-15-36(66)16-14-31)59-47(71)38(11-7-17-57-52(54)55)61-46(70)37(53)24-43(68)69/h4-6,9-10,13-16,21-22,25,28-29,37-41,44,63,66H,3,7-8,11-12,17-20,23-24,26-27,53H2,1-2H3,(H,56,58)(H,59,71)(H,60,67)(H,61,70)(H,62,72)(H,68,69)(H,75,76)(H4,54,55,57)/t29-,37-,38-,39-,40-,41-,44-/m0/s1
Affinity DataKi:  4.70nMAssay Description:Displacement of [125I]Ang2 from AT2 receptor in pig uterus myometriumMore data for this Ligand-Target Pair
TargetType-2 angiotensin II receptor(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50195696((3S)-3-amino-3-{[(1S)-1-{[(2S)-2-[(2S)-butan-2-yl]...)
Show SMILES CC[C@H](C)[C@@H]1Nc2c(Cc3ccc(O)cc3)cc(NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)cc2CN(CC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(O)=O)C1=O
Show InChI InChI=1S/C46H60N10O10/c1-3-26(2)39-44(64)55(25-37(58)56-18-8-12-36(56)43(63)53-35(45(65)66)20-27-9-5-4-6-10-27)24-30-22-31(21-29(40(30)54-39)19-28-13-15-32(57)16-14-28)51-42(62)34(11-7-17-50-46(48)49)52-41(61)33(47)23-38(59)60/h4-6,9-10,13-16,21-22,26,33-36,39,54,57H,3,7-8,11-12,17-20,23-25,47H2,1-2H3,(H,51,62)(H,52,61)(H,53,63)(H,59,60)(H,65,66)(H4,48,49,50)/t26-,33-,34-,35-,36-,39-/m0/s1
Affinity DataKi:  53.1nMAssay Description:Displacement of [125I]Ang2 from AT2 receptor in pig uterus myometriumMore data for this Ligand-Target Pair