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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Type-1 angiotensin II receptor' and Ligand = 'BDBM50003387'   
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


(Cavia porcellus)
BDBM50003387
PNG
(2-Ethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccccc2n1
Show InChI InChI=1S/C25H21N5O/c1-2-19-15-24(22-9-5-6-10-23(22)26-19)31-16-17-11-13-18(14-12-17)20-7-3-4-8-21(20)25-27-29-30-28-25/h3-15H,2,16H2,1H3,(H,27,28,29,30)
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Article
PubMed
n/an/a 30n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro antagonistic potency against Angiotensin II receptor, type 1 in guinea pig adrenal membrane


J Med Chem 39: 625-56 (1996)


Article DOI: 10.1021/jm9504722
BindingDB Entry DOI: 10.7270/Q29P3299
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50003387
PNG
(2-Ethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccccc2n1
Show InChI InChI=1S/C25H21N5O/c1-2-19-15-24(22-9-5-6-10-23(22)26-19)31-16-17-11-13-18(14-12-17)20-7-3-4-8-21(20)25-27-29-30-28-25/h3-15H,2,16H2,1H3,(H,27,28,29,30)
PDB

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UniChem

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Article
PubMed
n/an/a 30n/an/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Binding affinity to angiotensin AT1 receptor in guinea pig adrenal cortex membranes


Bioorg Med Chem 18: 8418-56 (2010)


Article DOI: 10.1016/j.bmc.2010.10.043
BindingDB Entry DOI: 10.7270/Q2H70G3T
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50003387
PNG
(2-Ethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccccc2n1
Show InChI InChI=1S/C25H21N5O/c1-2-19-15-24(22-9-5-6-10-23(22)26-19)31-16-17-11-13-18(14-12-17)20-7-3-4-8-21(20)25-27-29-30-28-25/h3-15H,2,16H2,1H3,(H,27,28,29,30)
PDB

UniProtKB/SwissProt

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CHEMBL
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Article
PubMed
n/an/a 31n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the specific binding of [125I]-angiotensin II to a guinea pig adrenal membrane preparation


J Med Chem 35: 4027-38 (1992)


Article DOI: 10.1021/jm00100a007
BindingDB Entry DOI: 10.7270/Q2G44P8Q
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50003387
PNG
(2-Ethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccccc2n1
Show InChI InChI=1S/C25H21N5O/c1-2-19-15-24(22-9-5-6-10-23(22)26-19)31-16-17-11-13-18(14-12-17)20-7-3-4-8-21(20)25-27-29-30-28-25/h3-15H,2,16H2,1H3,(H,27,28,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Angiotensin binding to a guinea pig adrenal membrane preparation which corresponds to Angiotensin II receptor, type 1


J Med Chem 36: 1245-54 (1993)


Article DOI: 10.1021/jm00061a016
BindingDB Entry DOI: 10.7270/Q2GM86CM
More data for this
Ligand-Target Pair