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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50049185   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Type-1 angiotensin II receptor


(RABBIT)
BDBM50049185
PNG
(4'-[2-Butyl-6-(3-isopropyl-3-methyl-ureido)-4-oxo-...)
Show SMILES CCCC(=O)Nc1cnc2n(Cc3ccc(cc3)-c3ccccc3S(=O)(=O)NC(=O)OCc3ccccc3)c(CCC)nc2c1C
Show InChI InChI=1S/C35H37N5O5S/c1-4-11-31-38-33-24(3)29(37-32(41)12-5-2)21-36-34(33)40(31)22-25-17-19-27(20-18-25)28-15-9-10-16-30(28)46(43,44)39-35(42)45-23-26-13-7-6-8-14-26/h6-10,13-21H,4-5,11-12,22-23H2,1-3H3,(H,37,41)(H,39,42)
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n/an/a 0.330n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined by its ability to displace the specific binding ligand [125I]-Sar1, Ile8-AII from Angiotensin II receptor, type ...


Bioorg Med Chem Lett 4: 17-22 (1994)


Article DOI: 10.1016/S0960-894X(01)81115-X
BindingDB Entry DOI: 10.7270/Q2G73DPF
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)
BDBM50049185
PNG
(4'-[2-Butyl-6-(3-isopropyl-3-methyl-ureido)-4-oxo-...)
Show SMILES CCCC(=O)Nc1cnc2n(Cc3ccc(cc3)-c3ccccc3S(=O)(=O)NC(=O)OCc3ccccc3)c(CCC)nc2c1C
Show InChI InChI=1S/C35H37N5O5S/c1-4-11-31-38-33-24(3)29(37-32(41)12-5-2)21-36-34(33)40(31)22-25-17-19-27(20-18-25)28-15-9-10-16-30(28)46(43,44)39-35(42)45-23-26-13-7-6-8-14-26/h6-10,13-21H,4-5,11-12,22-23H2,1-3H3,(H,37,41)(H,39,42)
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n/an/a 0.330n/an/an/an/an/an/a



DuPont Pharmaceuticals 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
Type-2 angiotensin II receptor


(RAT)
BDBM50049185
PNG
(4'-[2-Butyl-6-(3-isopropyl-3-methyl-ureido)-4-oxo-...)
Show SMILES CCCC(=O)Nc1cnc2n(Cc3ccc(cc3)-c3ccccc3S(=O)(=O)NC(=O)OCc3ccccc3)c(CCC)nc2c1C
Show InChI InChI=1S/C35H37N5O5S/c1-4-11-31-38-33-24(3)29(37-32(41)12-5-2)21-36-34(33)40(31)22-25-17-19-27(20-18-25)28-15-9-10-16-30(28)46(43,44)39-35(42)45-23-26-13-7-6-8-14-26/h6-10,13-21H,4-5,11-12,22-23H2,1-3H3,(H,37,41)(H,39,42)
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n/an/a 0.940n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibitory activity at Angiotensin II type 2 receptor.


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
Type-2 angiotensin II receptor


(RAT)
BDBM50049185
PNG
(4'-[2-Butyl-6-(3-isopropyl-3-methyl-ureido)-4-oxo-...)
Show SMILES CCCC(=O)Nc1cnc2n(Cc3ccc(cc3)-c3ccccc3S(=O)(=O)NC(=O)OCc3ccccc3)c(CCC)nc2c1C
Show InChI InChI=1S/C35H37N5O5S/c1-4-11-31-38-33-24(3)29(37-32(41)12-5-2)21-36-34(33)40(31)22-25-17-19-27(20-18-25)28-15-9-10-16-30(28)46(43,44)39-35(42)45-23-26-13-7-6-8-14-26/h6-10,13-21H,4-5,11-12,22-23H2,1-3H3,(H,37,41)(H,39,42)
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Article
n/an/a 0.940n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined by its ability to displace the specific binding ligand [125I]-Sar1, Ile8-AII from AT2 receptor in rat midbrain m...


Bioorg Med Chem Lett 4: 17-22 (1994)


Article DOI: 10.1016/S0960-894X(01)81115-X
BindingDB Entry DOI: 10.7270/Q2G73DPF
More data for this
Ligand-Target Pair