BDBM50030709 CHEMBL338434::Pentanoic acid {3-[3-butyl-4-(3-fluoro-2'-(N-t-butyloxycarbonyl)-Sulfanamido-biphenyl-4-ylmethyl)-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl]-4-trifluoromethyl-phenyl}-amide

SMILES CCCCC(=O)Nc1ccc(c(c1)-n1nc(CCCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O)C(F)(F)F

InChI Key InChIKey=AADDKLKFCNPPIE-UHFFFAOYSA-N

Data  9 IC50

Find this compound or compounds like it in BindingDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50030709   

TargetType-2 angiotensin II receptor(RAT)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50030709(CHEMBL338434 | Pentanoic acid {3-[3-butyl-4-(3-flu...)
Show SMILES CCCCC(=O)Nc1ccc(c(c1)-n1nc(CCCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O)C(F)(F)F
Show InChI InChI=1S/C36H41F4N5O6S/c1-6-8-14-31-42-45(29-21-25(41-32(46)15-9-7-2)18-19-27(29)36(38,39)40)34(48)44(31)22-24-17-16-23(20-28(24)37)26-12-10-11-13-30(26)52(49,50)43-33(47)51-35(3,4)5/h10-13,16-21H,6-9,14-15,22H2,1-5H3,(H,41,46)(H,43,47)
Affinity DataIC50: 0.220nMAssay Description:In vitro inhibitory activity against Angiotensin II receptor, type 2 in rat midbrain membrane preparations.More data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50030709(CHEMBL338434 | Pentanoic acid {3-[3-butyl-4-(3-flu...)
Show SMILES CCCCC(=O)Nc1ccc(c(c1)-n1nc(CCCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O)C(F)(F)F
Show InChI InChI=1S/C36H41F4N5O6S/c1-6-8-14-31-42-45(29-21-25(41-32(46)15-9-7-2)18-19-27(29)36(38,39)40)34(48)44(31)22-24-17-16-23(20-28(24)37)26-12-10-11-13-30(26)52(49,50)43-33(47)51-35(3,4)5/h10-13,16-21H,6-9,14-15,22H2,1-5H3,(H,41,46)(H,43,47)
Affinity DataIC50: 0.900nMAssay Description:In vitro inhibitory activity against angiotensin II receptor type 1, in human adrenal membrane preparations.More data for this Ligand-Target Pair
TargetType-2 angiotensin II receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50030709(CHEMBL338434 | Pentanoic acid {3-[3-butyl-4-(3-flu...)
Show SMILES CCCCC(=O)Nc1ccc(c(c1)-n1nc(CCCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O)C(F)(F)F
Show InChI InChI=1S/C36H41F4N5O6S/c1-6-8-14-31-42-45(29-21-25(41-32(46)15-9-7-2)18-19-27(29)36(38,39)40)34(48)44(31)22-24-17-16-23(20-28(24)37)26-12-10-11-13-30(26)52(49,50)43-33(47)51-35(3,4)5/h10-13,16-21H,6-9,14-15,22H2,1-5H3,(H,41,46)(H,43,47)
Affinity DataIC50: 0.880nMAssay Description:In vitro inhibitory activity against Angiotensin II receptor, type 2 in human adrenal membrane preparations. For this assay, only 0.02%BSA was presen...More data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor(RABBIT)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50030709(CHEMBL338434 | Pentanoic acid {3-[3-butyl-4-(3-flu...)
Show SMILES CCCCC(=O)Nc1ccc(c(c1)-n1nc(CCCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O)C(F)(F)F
Show InChI InChI=1S/C36H41F4N5O6S/c1-6-8-14-31-42-45(29-21-25(41-32(46)15-9-7-2)18-19-27(29)36(38,39)40)34(48)44(31)22-24-17-16-23(20-28(24)37)26-12-10-11-13-30(26)52(49,50)43-33(47)51-35(3,4)5/h10-13,16-21H,6-9,14-15,22H2,1-5H3,(H,41,46)(H,43,47)
Affinity DataIC50: 0.420nMAssay Description:In vitro inhibitory activity against Angiotensin II receptor, type 1 in rabbit aorta membrane preparations.More data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor(RABBIT)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50030709(CHEMBL338434 | Pentanoic acid {3-[3-butyl-4-(3-flu...)
Show SMILES CCCCC(=O)Nc1ccc(c(c1)-n1nc(CCCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O)C(F)(F)F
Show InChI InChI=1S/C36H41F4N5O6S/c1-6-8-14-31-42-45(29-21-25(41-32(46)15-9-7-2)18-19-27(29)36(38,39)40)34(48)44(31)22-24-17-16-23(20-28(24)37)26-12-10-11-13-30(26)52(49,50)43-33(47)51-35(3,4)5/h10-13,16-21H,6-9,14-15,22H2,1-5H3,(H,41,46)(H,43,47)
Affinity DataIC50: 0.421nMAssay Description:Antagonist activity at Oryctolagus cuniculus (rabbit) aortic AT1 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
TargetType-2 angiotensin II receptor(RAT)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50030709(CHEMBL338434 | Pentanoic acid {3-[3-butyl-4-(3-flu...)
Show SMILES CCCCC(=O)Nc1ccc(c(c1)-n1nc(CCCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O)C(F)(F)F
Show InChI InChI=1S/C36H41F4N5O6S/c1-6-8-14-31-42-45(29-21-25(41-32(46)15-9-7-2)18-19-27(29)36(38,39)40)34(48)44(31)22-24-17-16-23(20-28(24)37)26-12-10-11-13-30(26)52(49,50)43-33(47)51-35(3,4)5/h10-13,16-21H,6-9,14-15,22H2,1-5H3,(H,41,46)(H,43,47)
Affinity DataIC50: 0.160nMAssay Description:In vitro inhibitory activity against angiotensin II type 2 receptor in rat adrenal membrane preparations.More data for this Ligand-Target Pair
TargetType-2 angiotensin II receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50030709(CHEMBL338434 | Pentanoic acid {3-[3-butyl-4-(3-flu...)
Show SMILES CCCCC(=O)Nc1ccc(c(c1)-n1nc(CCCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O)C(F)(F)F
Show InChI InChI=1S/C36H41F4N5O6S/c1-6-8-14-31-42-45(29-21-25(41-32(46)15-9-7-2)18-19-27(29)36(38,39)40)34(48)44(31)22-24-17-16-23(20-28(24)37)26-12-10-11-13-30(26)52(49,50)43-33(47)51-35(3,4)5/h10-13,16-21H,6-9,14-15,22H2,1-5H3,(H,41,46)(H,43,47)
Affinity DataIC50: 3.80nMAssay Description:In vitro inhibitory activity against Angiotensin II receptor type 2 in human adrenal membrane preparations.More data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor(RABBIT)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50030709(CHEMBL338434 | Pentanoic acid {3-[3-butyl-4-(3-flu...)
Show SMILES CCCCC(=O)Nc1ccc(c(c1)-n1nc(CCCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O)C(F)(F)F
Show InChI InChI=1S/C36H41F4N5O6S/c1-6-8-14-31-42-45(29-21-25(41-32(46)15-9-7-2)18-19-27(29)36(38,39)40)34(48)44(31)22-24-17-16-23(20-28(24)37)26-12-10-11-13-30(26)52(49,50)43-33(47)51-35(3,4)5/h10-13,16-21H,6-9,14-15,22H2,1-5H3,(H,41,46)(H,43,47)
Affinity DataIC50: 0.420nMAssay Description:Antagonist activity at Oryctolagus cuniculus (rabbit) aortic AT1 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
TargetType-1 angiotensin II receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50030709(CHEMBL338434 | Pentanoic acid {3-[3-butyl-4-(3-flu...)
Show SMILES CCCCC(=O)Nc1ccc(c(c1)-n1nc(CCCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O)C(F)(F)F
Show InChI InChI=1S/C36H41F4N5O6S/c1-6-8-14-31-42-45(29-21-25(41-32(46)15-9-7-2)18-19-27(29)36(38,39)40)34(48)44(31)22-24-17-16-23(20-28(24)37)26-12-10-11-13-30(26)52(49,50)43-33(47)51-35(3,4)5/h10-13,16-21H,6-9,14-15,22H2,1-5H3,(H,41,46)(H,43,47)
Affinity DataIC50: 0.410nMAssay Description:In vitro inhibitory activity against Angiotensin II receptor, type 1 in human adrenal membrane preparations. For this assay, only 0.02%BSA was presen...More data for this Ligand-Target Pair