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Compile Data Set for Download or QSAR

Found 3 hits of ki for drug = Exforge   
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


(Homo sapiens (Human))
BDBM50049186
PNG
((S)-3-Methyl-2-{pentanoyl-[2'-(1H-tetrazol-5-yl)-b...)
Show SMILES CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1
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Article
PubMed
3n/an/an/an/an/an/an/an/a



Bahcesehir University (BAU)

Curated by ChEMBL


Assay Description
Displacement of [125I-Sar1-Ile8]-Ang2 from human angiotensin 2 receptor type 1 receptor expressed in HEK293 cells after 1 hr by gamma counting analys...


Eur J Med Chem 145: 273-290 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.021
BindingDB Entry DOI: 10.7270/Q2639S81
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50049186
PNG
((S)-3-Methyl-2-{pentanoyl-[2'-(1H-tetrazol-5-yl)-b...)
Show SMILES CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1
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4.70E+3n/an/an/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition constant against Angiotensin II receptor, type 1 was determined


J Med Chem 46: 2261-70 (2003)


Article DOI: 10.1021/jm0204237
BindingDB Entry DOI: 10.7270/Q2154HSP
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50049186
PNG
((S)-3-Methyl-2-{pentanoyl-[2'-(1H-tetrazol-5-yl)-b...)
Show SMILES CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1
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Article
PubMed
<1.00E+4n/an/an/an/an/an/an/an/a



Theravance Biopharma US Inc.

Curated by ChEMBL


Assay Description
Displacement of Europium-labeled angiotensin-2 from human AT2 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA


ACS Med Chem Lett 10: 86-91 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00462
BindingDB Entry DOI: 10.7270/Q2D50R6V
More data for this
Ligand-Target Pair