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BDBM50032362 3-(2'-Isopentyloxycarbonylsulfamoyl-3-fluoro-biphenyl-4-ylmethyl)-5-ethyl-2-propyl-3H-imidazole-4-carboxylic acid methyl ester::5-Ethyl-3-(3-fluoro-2'-isopentyloxycarbonylsulfamoyl-biphenyl-4-ylmethyl)-2-propyl-3H-imidazole-4-carboxylic acid methyl ester(EXP408)::CHEMBL294512::isopentyloxy 2-{2-[3-flouoro-4-(4-ethyl-5-methyloxycarbonyl-2-propyl-1H-1-imidazolylmethyl)phenyl]phenylsulfonyl}carbonylamino

SMILES: CCCc1nc(CC)c(C(=O)OC)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C

InChI Key: InChIKey=PZLBCNBODYEVNF-UHFFFAOYSA-N

Data: 6 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50032362   
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 AT2


(RAT)
BDBM50032362
PNG
(3-(2'-Isopentyloxycarbonylsulfamoyl-3-fluoro-biphe...)
Show SMILES CCCc1nc(CC)c(C(=O)OC)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
Show InChI InChI=1S/C29H36FN3O6S/c1-6-10-26-31-24(7-2)27(28(34)38-5)33(26)18-21-14-13-20(17-23(21)30)22-11-8-9-12-25(22)40(36,37)32-29(35)39-16-15-19(3)4/h8-9,11-14,17,19H,6-7,10,15-16,18H2,1-5H3,(H,32,35)
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n/an/a 40n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against Angiotensin II receptor type 2 with [125I]-[Sar1,Ile8]Ang II


J Med Chem 38: 2938-45 (1995)


BindingDB Entry DOI: 10.7270/Q2639NRN
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50032362
PNG
(3-(2'-Isopentyloxycarbonylsulfamoyl-3-fluoro-biphe...)
Show SMILES CCCc1nc(CC)c(C(=O)OC)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
Show InChI InChI=1S/C29H36FN3O6S/c1-6-10-26-31-24(7-2)27(28(34)38-5)33(26)18-21-14-13-20(17-23(21)30)22-11-8-9-12-25(22)40(36,37)32-29(35)39-16-15-19(3)4/h8-9,11-14,17,19H,6-7,10,15-16,18H2,1-5H3,(H,32,35)
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n/an/a 3n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-[Sar1,Ile8]Ang II binding at rat angiotensin II (type 2) receptor.


J Med Chem 38: 2938-45 (1995)


BindingDB Entry DOI: 10.7270/Q2639NRN
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50032362
PNG
(3-(2'-Isopentyloxycarbonylsulfamoyl-3-fluoro-biphe...)
Show SMILES CCCc1nc(CC)c(C(=O)OC)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
Show InChI InChI=1S/C29H36FN3O6S/c1-6-10-26-31-24(7-2)27(28(34)38-5)33(26)18-21-14-13-20(17-23(21)30)22-11-8-9-12-25(22)40(36,37)32-29(35)39-16-15-19(3)4/h8-9,11-14,17,19H,6-7,10,15-16,18H2,1-5H3,(H,32,35)
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]- Ang II from angiotensin II AT1 receptor in rat adrenal cortical microsomes


Bioorg Med Chem Lett 4: 2011-2016 (1994)


Article DOI: 10.1016/S0960-894X(01)80554-0
BindingDB Entry DOI: 10.7270/Q2W37W78
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50032362
PNG
(3-(2'-Isopentyloxycarbonylsulfamoyl-3-fluoro-biphe...)
Show SMILES CCCc1nc(CC)c(C(=O)OC)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
Show InChI InChI=1S/C29H36FN3O6S/c1-6-10-26-31-24(7-2)27(28(34)38-5)33(26)18-21-14-13-20(17-23(21)30)22-11-8-9-12-25(22)40(36,37)32-29(35)39-16-15-19(3)4/h8-9,11-14,17,19H,6-7,10,15-16,18H2,1-5H3,(H,32,35)
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n/an/a 1n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin II receptor, type 1


J Med Chem 39: 625-56 (1996)


Article DOI: 10.1021/jm9504722
BindingDB Entry DOI: 10.7270/Q29P3299
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50032362
PNG
(3-(2'-Isopentyloxycarbonylsulfamoyl-3-fluoro-biphe...)
Show SMILES CCCc1nc(CC)c(C(=O)OC)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
Show InChI InChI=1S/C29H36FN3O6S/c1-6-10-26-31-24(7-2)27(28(34)38-5)33(26)18-21-14-13-20(17-23(21)30)22-11-8-9-12-25(22)40(36,37)32-29(35)39-16-15-19(3)4/h8-9,11-14,17,19H,6-7,10,15-16,18H2,1-5H3,(H,32,35)
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n/an/a 1n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin II receptor, type 2


J Med Chem 39: 625-56 (1996)


Article DOI: 10.1021/jm9504722
BindingDB Entry DOI: 10.7270/Q29P3299
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50032362
PNG
(3-(2'-Isopentyloxycarbonylsulfamoyl-3-fluoro-biphe...)
Show SMILES CCCc1nc(CC)c(C(=O)OC)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
Show InChI InChI=1S/C29H36FN3O6S/c1-6-10-26-31-24(7-2)27(28(34)38-5)33(26)18-21-14-13-20(17-23(21)30)22-11-8-9-12-25(22)40(36,37)32-29(35)39-16-15-19(3)4/h8-9,11-14,17,19H,6-7,10,15-16,18H2,1-5H3,(H,32,35)
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]- Ang II from angiotensin II AT2 receptor in rat adrenal cortical microsomes


Bioorg Med Chem Lett 4: 2011-2016 (1994)


Article DOI: 10.1016/S0960-894X(01)80554-0
BindingDB Entry DOI: 10.7270/Q2W37W78
More data for this
Ligand-Target Pair