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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Type-1 angiotensin II receptor' and Ligand = 'BDBM50030718'   
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
Type-1 angiotensin II receptor


(RABBIT)
BDBM50030718
PNG
(CHEMBL332576 | N-{3-[3-Butyl-4-(3-fluoro-2-(N-t-bu...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCC
Show InChI InChI=1S/C32H33F4N5O6S/c1-4-7-12-28-38-41(26-18-22(37-29(42)5-2)15-16-24(26)32(34,35)36)31(44)40(28)19-21-14-13-20(17-25(21)33)23-10-8-9-11-27(23)48(45,46)39-30(43)47-6-3/h8-11,13-18H,4-7,12,19H2,1-3H3,(H,37,42)(H,39,43)
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PubMed
n/an/a 0.130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Angiotensin II receptor, type 1 in rabbit aorta membrane preparations.


J Med Chem 38: 3741-58 (1995)


BindingDB Entry DOI: 10.7270/Q2Q81C35
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)
BDBM50030718
PNG
(CHEMBL332576 | N-{3-[3-Butyl-4-(3-fluoro-2-(N-t-bu...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCC
Show InChI InChI=1S/C32H33F4N5O6S/c1-4-7-12-28-38-41(26-18-22(37-29(42)5-2)15-16-24(26)32(34,35)36)31(44)40(28)19-21-14-13-20(17-25(21)33)23-10-8-9-11-27(23)48(45,46)39-30(43)47-6-3/h8-11,13-18H,4-7,12,19H2,1-3H3,(H,37,42)(H,39,43)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
n/an/a 0.130n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at Oryctolagus cuniculus (rabbit) aortic AT1 receptor


Citation and Details

Article DOI: 10.1007/s00044-011-9815-x
BindingDB Entry DOI: 10.7270/Q2VT1W0S
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)
BDBM50030718
PNG
(CHEMBL332576 | N-{3-[3-Butyl-4-(3-fluoro-2-(N-t-bu...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCC
Show InChI InChI=1S/C32H33F4N5O6S/c1-4-7-12-28-38-41(26-18-22(37-29(42)5-2)15-16-24(26)32(34,35)36)31(44)40(28)19-21-14-13-20(17-25(21)33)23-10-8-9-11-27(23)48(45,46)39-30(43)47-6-3/h8-11,13-18H,4-7,12,19H2,1-3H3,(H,37,42)(H,39,43)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 0.130n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at Oryctolagus cuniculus (rabbit) aortic AT1 receptor


Citation and Details

Article DOI: 10.1007/s00044-011-9815-x
BindingDB Entry DOI: 10.7270/Q2VT1W0S
More data for this
Ligand-Target Pair