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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Type-1 angiotensin II receptor' and Ligand = 'BDBM50498931'   
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))
BDBM50498931
PNG
(CHEMBL3734891)
Show SMILES CCOc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)NC[C@@H](C)c1ccccc1 |r|
Show InChI InChI=1S/C34H33N7O2/c1-4-43-34-36-31-22(2)18-27(33(42)35-20-23(3)25-10-6-5-7-11-25)19-30(31)41(34)21-24-14-16-26(17-15-24)28-12-8-9-13-29(28)32-37-39-40-38-32/h5-19,23H,4,20-21H2,1-3H3,(H,35,42)(H,37,38,39,40)/t23-/m1/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 6.30n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]Sar1Ile8-Ang2 from human AT1 receptor expressed in CHO-K1 cell membranes after 180 mins


Eur J Med Chem 103: 473-87 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.010
BindingDB Entry DOI: 10.7270/Q21J9DS4
More data for this
Ligand-Target Pair