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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Angiotensin II receptor' and Ligand = 'BDBM50003399'   
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 receptor


(RAT)
BDBM50003399
PNG
(4'-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-yl...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C22H23ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Searle R&D and MCR

Curated by ChEMBL


Assay Description
Ability to displace [125I]-labeled angiotensin II from its receptor of a rat uterus membrane


J Med Chem 34: 2410-4 (1991)


Article DOI: 10.1021/jm00112a015
BindingDB Entry DOI: 10.7270/Q2G73GZV
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50003399
PNG
(4'-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-yl...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C22H23ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at angiotensin 2 receptor


J Med Chem 54: 2529-91 (2011)


Article DOI: 10.1021/jm1013693
BindingDB Entry DOI: 10.7270/Q24M95PH
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50003399
PNG
(4'-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-yl...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C22H23ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 230n/an/an/an/an/an/a



E. I. du Pont de Nemours& Company, Inc.

Curated by ChEMBL


Assay Description
Inhibition of radioligand [3H]angiotensin II binding to angiotensin II receptor of rat adrenal cortical membrane


J Med Chem 34: 2525-47 (1991)


Article DOI: 10.1021/jm00112a031
BindingDB Entry DOI: 10.7270/Q2QN690P
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50003399
PNG
(4'-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-yl...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C22H23ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 280n/an/an/an/an/an/a



Searle R&D and MCR

Curated by ChEMBL


Assay Description
Ability to displace [125I]-labeled angiotensin II from its receptor of a rat uterus membrane


J Med Chem 34: 2410-4 (1991)


Article DOI: 10.1021/jm00112a015
BindingDB Entry DOI: 10.7270/Q2G73GZV
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50003399
PNG
(4'-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-yl...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C22H23ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 330n/an/an/an/an/an/a



Searle R&D and MCR

Curated by ChEMBL


Assay Description
Ability to displace [125I]-labeled angiotensin II from its receptor of a rat uterus membrane


J Med Chem 34: 2410-4 (1991)


Article DOI: 10.1021/jm00112a015
BindingDB Entry DOI: 10.7270/Q2G73GZV
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50003399
PNG
(4'-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-yl...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C22H23ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 480n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Concentration required for 50% displacement of the specifically bound [3-[125I]-iodotyrosyl]-angiotensin II from angiotensin II receptor in the membr...


J Med Chem 35: 877-85 (1992)


Article DOI: 10.1021/jm00083a011
BindingDB Entry DOI: 10.7270/Q23R0W37
More data for this
Ligand-Target Pair