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Articleid 50029418

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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


(Homo sapiens (Human))
BDBM50284297
PNG
(4-(2-Butyl-5-{[(R)-1-carboxy-2-(1H-indol-3-yl)-eth...)
Show SMILES CCCCc1ncc(CN[C@H](Cc2c[nH]c3ccccc23)C(O)=O)n1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H30N4O4/c1-2-3-8-25-30-16-21(31(25)17-18-9-11-19(12-10-18)26(32)33)15-29-24(27(34)35)13-20-14-28-23-7-5-4-6-22(20)23/h4-7,9-12,14,16,24,28-29H,2-3,8,13,15,17H2,1H3,(H,32,33)(H,34,35)/t24-/m1/s1
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Article
n/an/a 2.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Angiotensin II specific binding to Angiotensin II receptor, type 1 in the recombinant human AT-1 receptor expressed in LhAT-...


Bioorg Med Chem Lett 5: 19-24 (1995)


Article DOI: 10.1016/0960-894X(94)00456-P
BindingDB Entry DOI: 10.7270/Q2GF0TF6
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50284298
PNG
(4-(2-Butyl-5-{[(S)-1-carboxy-2-(1H-indol-3-yl)-eth...)
Show SMILES CCCCc1ncc(CN[C@@H](Cc2c[nH]c3ccccc23)C(O)=O)n1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H30N4O4/c1-2-3-8-25-30-16-21(31(25)17-18-9-11-19(12-10-18)26(32)33)15-29-24(27(34)35)13-20-14-28-23-7-5-4-6-22(20)23/h4-7,9-12,14,16,24,28-29H,2-3,8,13,15,17H2,1H3,(H,32,33)(H,34,35)/t24-/m0/s1
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Article
n/an/a 48.3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Angiotensin II specific binding to Angiotensin II receptor, type 1 in the recombinant human AT-1 receptor expressed in LhAT-...


Bioorg Med Chem Lett 5: 19-24 (1995)


Article DOI: 10.1016/0960-894X(94)00456-P
BindingDB Entry DOI: 10.7270/Q2GF0TF6
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50284295
PNG
(4-{2-Butyl-5-[(carboxymethyl-amino)-methyl]-imidaz...)
Show SMILES CCCCc1ncc(CNCC(O)=O)n1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H23N3O4/c1-2-3-4-16-20-10-15(9-19-11-17(22)23)21(16)12-13-5-7-14(8-6-13)18(24)25/h5-8,10,19H,2-4,9,11-12H2,1H3,(H,22,23)(H,24,25)
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Article
n/an/a 298n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Angiotensin II specific binding to Angiotensin II receptor, type 1 in the recombinant human AT-1 receptor expressed in LhAT-...


Bioorg Med Chem Lett 5: 19-24 (1995)


Article DOI: 10.1016/0960-894X(94)00456-P
BindingDB Entry DOI: 10.7270/Q2GF0TF6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%