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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 B' and Ligand = 'BDBM50046078'   
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 B


(RAT)
BDBM50046078
PNG
(5-[4'-(3,5-Dibutyl-[1,2,4]triazol-1-ylmethyl)-biph...)
Show SMILES CCCCc1nc(CCCC)n(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)n1
Show InChI InChI=1S/C24H29N7/c1-3-5-11-22-25-23(12-6-4-2)31(28-22)17-18-13-15-19(16-14-18)20-9-7-8-10-21(20)24-26-29-30-27-24/h7-10,13-16H,3-6,11-12,17H2,1-2H3,(H,26,27,29,30)
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PC sid
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Similars

Article
PubMed
n/an/a 5.60n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat angiotensin II receptor, type 1


J Med Chem 47: 2574-86 (2004)


Article DOI: 10.1021/jm031100t
BindingDB Entry DOI: 10.7270/Q25X28DX
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50046078
PNG
(5-[4'-(3,5-Dibutyl-[1,2,4]triazol-1-ylmethyl)-biph...)
Show SMILES CCCCc1nc(CCCC)n(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)n1
Show InChI InChI=1S/C24H29N7/c1-3-5-11-22-25-23(12-6-4-2)31(28-22)17-18-13-15-19(16-14-18)20-9-7-8-10-21(20)24-26-29-30-27-24/h7-10,13-16H,3-6,11-12,17H2,1-2H3,(H,26,27,29,30)
PDB

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KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 6.5n/an/an/an/an/an/a



Searle & Company

Curated by ChEMBL


Assay Description
Activity against high affinity Angiotensin II receptor, type 1 was measured from the ability to inhibit [125I]-angiotensin II binding to rat uterine ...


J Med Chem 36: 101-10 (1993)


BindingDB Entry DOI: 10.7270/Q2KH0MDW
More data for this
Ligand-Target Pair