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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 = 'BDBM50493582'   
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))
BDBM50493582
PNG
(CHEMBL2435818)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C34H33N3O3/c1-3-9-31-36-32-23(2)20-27(33(38)35-19-18-24-10-5-4-6-11-24)21-30(32)37(31)22-25-14-16-26(17-15-25)28-12-7-8-13-29(28)34(39)40/h4-8,10-17,20-21H,3,9,18-19,22H2,1-2H3,(H,35,38)(H,39,40)
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PC cid
PC sid
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Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1Ile8-angiotensin 2 from angiotensin 2 AT1 receptor (unknown origin) after 180 mins by gamma counting analysis


Eur J Med Chem 69: 44-54 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.014
BindingDB Entry DOI: 10.7270/Q2PK0K32
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50493582
PNG
(CHEMBL2435818)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C34H33N3O3/c1-3-9-31-36-32-23(2)20-27(33(38)35-19-18-24-10-5-4-6-11-24)21-30(32)37(31)22-25-14-16-26(17-15-25)28-12-7-8-13-29(28)34(39)40/h4-8,10-17,20-21H,3,9,18-19,22H2,1-2H3,(H,35,38)(H,39,40)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/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