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3 similar compounds to monomer 50119657

Compile data set for download or QSAR
Wt: 478.5
BDBM50089981
Wt: 444.5
BDBM50089990
Wt: 458.5
BDBM50119658

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50089981,50089990,50119658   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50089990
PNG
(2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)C2(CCCC2)C1=O
Show InChI InChI=1S/C25H28N6O2/c1-2-3-16-30-23(32)25(14-6-7-15-25)24(33)31(30)17-18-10-12-19(13-11-18)20-8-4-5-9-21(20)22-26-28-29-27-22/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,26,27,28,29)
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25n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Angiotensin II receptor, type 1 of human hepatoma cell line PLC-PRF-5


J Med Chem 45: 4794-8 (2002)


Article DOI: 10.1021/jm010457z
BindingDB Entry DOI: 10.7270/Q2QC02TH
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50089990
PNG
(2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)C2(CCCC2)C1=O
Show InChI InChI=1S/C25H28N6O2/c1-2-3-16-30-23(32)25(14-6-7-15-25)24(33)31(30)17-18-10-12-19(13-11-18)20-8-4-5-9-21(20)22-26-28-29-27-22/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,26,27,28,29)
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25n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [125I]Sar1,Ile8-Ang2 from AT1 receptor in Wistar rat hepatic membrane


J Med Chem 51: 2137-46 (2008)


Article DOI: 10.1021/jm7011563
BindingDB Entry DOI: 10.7270/Q20P10X0
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50089990
PNG
(2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)C2(CCCC2)C1=O
Show InChI InChI=1S/C25H28N6O2/c1-2-3-16-30-23(32)25(14-6-7-15-25)24(33)31(30)17-18-10-12-19(13-11-18)20-8-4-5-9-21(20)22-26-28-29-27-22/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,26,27,28,29)
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25n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5


J Med Chem 43: 2685-97 (2000)


Article DOI: 10.1021/jm9904147
BindingDB Entry DOI: 10.7270/Q22B8X8G
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50119658
PNG
(7-Butyl-8-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)CC2(CCCC2)C1=O
Show InChI InChI=1S/C26H30N6O2/c1-2-3-16-31-25(34)26(14-6-7-15-26)17-23(33)32(31)18-19-10-12-20(13-11-19)21-8-4-5-9-22(21)24-27-29-30-28-24/h4-5,8-13H,2-3,6-7,14-18H2,1H3,(H,27,28,29,30)
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80n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [125I]Sar1,Ile8-Ang2 from AT1 receptor in Wistar rat hepatic membrane


J Med Chem 51: 2137-46 (2008)


Article DOI: 10.1021/jm7011563
BindingDB Entry DOI: 10.7270/Q20P10X0
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50119658
PNG
(7-Butyl-8-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)CC2(CCCC2)C1=O
Show InChI InChI=1S/C26H30N6O2/c1-2-3-16-31-25(34)26(14-6-7-15-26)17-23(33)32(31)18-19-10-12-20(13-11-19)21-8-4-5-9-22(21)24-27-29-30-28-24/h4-5,8-13H,2-3,6-7,14-18H2,1H3,(H,27,28,29,30)
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80n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Angiotensin II receptor, type 1 of human hepatoma cell line PLC-PRF-5


J Med Chem 45: 4794-8 (2002)


Article DOI: 10.1021/jm010457z
BindingDB Entry DOI: 10.7270/Q2QC02TH
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50089981
PNG
(2-Benzyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)
Show SMILES O=C1N(Cc2ccccc2)N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)C11CCCC1
Show InChI InChI=1S/C28H26N6O2/c35-26-28(16-6-7-17-28)27(36)34(33(26)18-20-8-2-1-3-9-20)19-21-12-14-22(15-13-21)23-10-4-5-11-24(23)25-29-31-32-30-25/h1-5,8-15H,6-7,16-19H2,(H,29,30,31,32)
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402n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5


J Med Chem 43: 2685-97 (2000)


Article DOI: 10.1021/jm9904147
BindingDB Entry DOI: 10.7270/Q22B8X8G
More data for this
Ligand-Target Pair