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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 = 'BDBM50281962'   
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


(RABBIT)
BDBM50281962
PNG
(2-Butyl-6-methanesulfinyl-3-[2'-(2H-tetrazol-5-yl)...)
Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)S(C)=O
Show InChI InChI=1S/C27H26N6O2S/c1-3-4-9-25-28-24-15-14-20(36(2)35)16-23(24)27(34)33(25)17-18-10-12-19(13-11-18)21-7-5-6-8-22(21)26-29-31-32-30-26/h5-8,10-16H,3-4,9,17H2,1-2H3,(H,29,30,31,32)
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 0.900n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-AII (without BSA) from type 1 Angiotensin II receptor of rabbit aorta


Bioorg Med Chem Lett 3: 1299-1304 (1993)


Article DOI: 10.1016/S0960-894X(00)80335-2
BindingDB Entry DOI: 10.7270/Q29P31KG
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)
BDBM50281962
PNG
(2-Butyl-6-methanesulfinyl-3-[2'-(2H-tetrazol-5-yl)...)
Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)S(C)=O
Show InChI InChI=1S/C27H26N6O2S/c1-3-4-9-25-28-24-15-14-20(36(2)35)16-23(24)27(34)33(25)17-18-10-12-19(13-11-18)21-7-5-6-8-22(21)26-29-31-32-30-26/h5-8,10-16H,3-4,9,17H2,1-2H3,(H,29,30,31,32)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [125I]-Sar1-Ile8-AII from angiotensin II receptor, type 1 in rabbit aorta in presence of 0.2% bovine serum albumin (BSA) was dete...


Bioorg Med Chem Lett 3: 1299-1304 (1993)


Article DOI: 10.1016/S0960-894X(00)80335-2
BindingDB Entry DOI: 10.7270/Q29P31KG
More data for this
Ligand-Target Pair