BDBM50159151 CHEMBL3786145

SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.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\C(=O)NCCCCN)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

InChI Key InChIKey=APPMXIIOSPZAMH-HJYQNBTFSA-N

Data  1 KI  1 IC50  2 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50159151   

TargetType-1 angiotensin II receptor(Homo sapiens (Human))
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50159151(CHEMBL3786145)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.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\C(=O)NCCCCN)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/C55H81N15O13.4C2HF3O2/c1-5-32(4)45(51(79)65-40(27-35-29-59-30-62-35)52(80)70-24-12-16-42(70)49(77)66-41(53(81)82)26-33-13-7-6-8-14-33)68-48(76)39(25-34-17-19-36(71)20-18-34)64-50(78)44(31(2)3)67-47(75)38(63-46(74)37(57)28-43(72)73)15-11-23-60-54(58)69-55(83)61-22-10-9-21-56;4*3-2(4,5)1(6)7/h6-8,13-14,17-20,29-32,37-42,44-45,71H,5,9-12,15-16,21-28,56-57H2,1-4H3,(H,59,62)(H,63,74)(H,64,78)(H,65,79)(H,66,77)(H,67,75)(H,68,76)(H,72,73)(H,81,82)(H4,58,60,61,69,83);4*(H,6,7)/t32-,37-,38-,39-,40-,41-,42-,44-,45-;;;;/m0..../s1
Affinity DataKi:  2.10nMAssay Description:Displacement of [3H]-Asp-{Nomega-[N-(4-propanoylaminobutyl)aminocarbonyl]}Arg-ValTyr-Ile-His-Pro-Phe-OH Tris(hydrotrifluoroacetate) from human AT1 re...More data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor(Homo sapiens (Human))
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50159151(CHEMBL3786145)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.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\C(=O)NCCCCN)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/C55H81N15O13.4C2HF3O2/c1-5-32(4)45(51(79)65-40(27-35-29-59-30-62-35)52(80)70-24-12-16-42(70)49(77)66-41(53(81)82)26-33-13-7-6-8-14-33)68-48(76)39(25-34-17-19-36(71)20-18-34)64-50(78)44(31(2)3)67-47(75)38(63-46(74)37(57)28-43(72)73)15-11-23-60-54(58)69-55(83)61-22-10-9-21-56;4*3-2(4,5)1(6)7/h6-8,13-14,17-20,29-32,37-42,44-45,71H,5,9-12,15-16,21-28,56-57H2,1-4H3,(H,59,62)(H,63,74)(H,64,78)(H,65,79)(H,66,77)(H,67,75)(H,68,76)(H,72,73)(H,81,82)(H4,58,60,61,69,83);4*(H,6,7)/t32-,37-,38-,39-,40-,41-,42-,44-,45-;;;;/m0..../s1
Affinity DataIC50: 6.20nMAssay Description:Displacement of [3H]-Asp-{Nomega-[N-(4-propanoylaminobutyl)aminocarbonyl]}Arg-ValTyr-Ile-His-Pro-Phe-OH Tris(hydrotrifluoroacetate) from human AT1 re...More data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor(Homo sapiens (Human))
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50159151(CHEMBL3786145)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.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\C(=O)NCCCCN)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/C55H81N15O13.4C2HF3O2/c1-5-32(4)45(51(79)65-40(27-35-29-59-30-62-35)52(80)70-24-12-16-42(70)49(77)66-41(53(81)82)26-33-13-7-6-8-14-33)68-48(76)39(25-34-17-19-36(71)20-18-34)64-50(78)44(31(2)3)67-47(75)38(63-46(74)37(57)28-43(72)73)15-11-23-60-54(58)69-55(83)61-22-10-9-21-56;4*3-2(4,5)1(6)7/h6-8,13-14,17-20,29-32,37-42,44-45,71H,5,9-12,15-16,21-28,56-57H2,1-4H3,(H,59,62)(H,63,74)(H,64,78)(H,65,79)(H,66,77)(H,67,75)(H,68,76)(H,72,73)(H,81,82)(H4,58,60,61,69,83);4*(H,6,7)/t32-,37-,38-,39-,40-,41-,42-,44-,45-;;;;/m0..../s1
Affinity DataEC50:  1.40nMAssay Description:Agonist activity at human AT1 receptor transfected in CHO cells co-expressing Galpha16-mtAEQ assessed as induction of intracellular Ca2+ mobilization...More data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor(Homo sapiens (Human))
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50159151(CHEMBL3786145)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.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\C(=O)NCCCCN)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/C55H81N15O13.4C2HF3O2/c1-5-32(4)45(51(79)65-40(27-35-29-59-30-62-35)52(80)70-24-12-16-42(70)49(77)66-41(53(81)82)26-33-13-7-6-8-14-33)68-48(76)39(25-34-17-19-36(71)20-18-34)64-50(78)44(31(2)3)67-47(75)38(63-46(74)37(57)28-43(72)73)15-11-23-60-54(58)69-55(83)61-22-10-9-21-56;4*3-2(4,5)1(6)7/h6-8,13-14,17-20,29-32,37-42,44-45,71H,5,9-12,15-16,21-28,56-57H2,1-4H3,(H,59,62)(H,63,74)(H,64,78)(H,65,79)(H,66,77)(H,67,75)(H,68,76)(H,72,73)(H,81,82)(H4,58,60,61,69,83);4*(H,6,7)/t32-,37-,38-,39-,40-,41-,42-,44-,45-;;;;/m0..../s1
Affinity DataEC50:  1.40nMAssay Description:Agonist activity at human AT1 receptor transfected in CHO cells co-expressing Galpha16-mtAEQ assessed as induction of intracellular Ca2+ mobilization...More data for this Ligand-Target Pair