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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Angiotensin II receptor' and Ligand = 'BDBM50283758'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Angiotensin II receptor


(RAT)
BDBM50283758
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C36H33ClF4N4O4S/c1-3-5-15-33-42-45(31-14-9-7-12-28(31)36(39,40)41)35(47)44(33)22-25-18-17-24(21-30(25)38)27-20-23(10-4-2)16-19-32(27)50(48,49)43-34(46)26-11-6-8-13-29(26)37/h6-9,11-14,16-21H,3-5,10,15,22H2,1-2H3,(H,43,46)
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Article
n/an/a 1.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against AT2 receptor from rat adrenal tissues.


Bioorg Med Chem Lett 4: 2787-2792 (1994)


Article DOI: 10.1016/S0960-894X(01)80595-3
BindingDB Entry DOI: 10.7270/Q2WS8T68
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50283758
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C36H33ClF4N4O4S/c1-3-5-15-33-42-45(31-14-9-7-12-28(31)36(39,40)41)35(47)44(33)22-25-18-17-24(21-30(25)38)27-20-23(10-4-2)16-19-32(27)50(48,49)43-34(46)26-11-6-8-13-29(26)37/h6-9,11-14,16-21H,3-5,10,15,22H2,1-2H3,(H,43,46)
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Article
n/an/a 110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against AT1 receptor from human adrenal tissues.


Bioorg Med Chem Lett 4: 2787-2792 (1994)


Article DOI: 10.1016/S0960-894X(01)80595-3
BindingDB Entry DOI: 10.7270/Q2WS8T68
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50283758
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C36H33ClF4N4O4S/c1-3-5-15-33-42-45(31-14-9-7-12-28(31)36(39,40)41)35(47)44(33)22-25-18-17-24(21-30(25)38)27-20-23(10-4-2)16-19-32(27)50(48,49)43-34(46)26-11-6-8-13-29(26)37/h6-9,11-14,16-21H,3-5,10,15,22H2,1-2H3,(H,43,46)
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against AT2 receptor from human adrenal tissues.


Bioorg Med Chem Lett 4: 2787-2792 (1994)


Article DOI: 10.1016/S0960-894X(01)80595-3
BindingDB Entry DOI: 10.7270/Q2WS8T68
More data for this
Ligand-Target Pair