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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin II type 1a (AT-1a) receptor' and Ligand = 'BDBM50282458'   
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 type 1a (AT-1a) receptor


(RABBIT)
BDBM50282458
PNG
(CHEMBL352947 | Quinazolinone Analog)
Show SMILES CCCCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
Show InChI InChI=1S/C36H45N5O6S/c1-7-8-13-33-38-31-19-18-28(37-35(43)40(6)25(4)5)22-30(31)34(42)41(33)23-26-14-16-27(17-15-26)29-11-9-10-12-32(29)48(45,46)39-36(44)47-21-20-24(2)3/h9-12,14-19,22,24-25H,7-8,13,20-21,23H2,1-6H3,(H,37,43)(H,39,44)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 0.330n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for binding affinity against Angiotensin II receptor, type 1 in rabbit aortic membrane


Bioorg Med Chem Lett 4: 81-86 (1994)


Article DOI: 10.1016/S0960-894X(01)81126-4
BindingDB Entry DOI: 10.7270/Q2D79BBS
More data for this
Ligand-Target Pair