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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Type-1 angiotensin II receptor' and Ligand = 'BDBM50283315'   
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)
BDBM50283315
PNG
(2-Ethyl-3-(3-fluoro-2'-(2-cyclopropylethyloxycarbo...)
Show SMILES CCNC(=O)Nc1ccc2nc(CC)n(Cc3ccc(cc3F)-c3ccccc3S(=O)(=O)NC(=O)OCCC3CC3)c(=O)c2c1
Show InChI InChI=1S/C32H34FN5O6S/c1-3-29-36-27-14-13-23(35-31(40)34-4-2)18-25(27)30(39)38(29)19-22-12-11-21(17-26(22)33)24-7-5-6-8-28(24)45(42,43)37-32(41)44-16-15-20-9-10-20/h5-8,11-14,17-18,20H,3-4,9-10,15-16,19H2,1-2H3,(H,37,41)(H2,34,35,40)
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PC sid
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Article
n/an/a 0.730n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo inhibitory concentration of the compound against Angiotensin II receptor, type 1 of rabbit aorta membrane


Bioorg Med Chem Lett 4: 2337-2342 (1994)


Article DOI: 10.1016/0960-894X(94)85036-4
BindingDB Entry DOI: 10.7270/Q2X066Z9
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50283315
PNG
(2-Ethyl-3-(3-fluoro-2'-(2-cyclopropylethyloxycarbo...)
Show SMILES CCNC(=O)Nc1ccc2nc(CC)n(Cc3ccc(cc3F)-c3ccccc3S(=O)(=O)NC(=O)OCCC3CC3)c(=O)c2c1
Show InChI InChI=1S/C32H34FN5O6S/c1-3-29-36-27-14-13-23(35-31(40)34-4-2)18-25(27)30(39)38(29)19-22-12-11-21(17-26(22)33)24-7-5-6-8-28(24)45(42,43)37-32(41)44-16-15-20-9-10-20/h5-8,11-14,17-18,20H,3-4,9-10,15-16,19H2,1-2H3,(H,37,41)(H2,34,35,40)
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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo inhibitory concentration of the compound against Angiotensin II receptor, type 1 of human adrenal membrane


Bioorg Med Chem Lett 4: 2337-2342 (1994)


Article DOI: 10.1016/0960-894X(94)85036-4
BindingDB Entry DOI: 10.7270/Q2X066Z9
More data for this
Ligand-Target Pair