BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Angiotensin II AT2' and Ligand = 'BDBM50030727'   
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 AT2


(RAT)
BDBM50030727
PNG
(4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C33H29F3N4O4S/c1-2-3-17-30-37-40(28-15-9-8-14-27(28)33(34,35)36)32(42)39(30)22-23-18-20-24(21-19-23)26-13-7-10-16-29(26)45(43,44)38-31(41)25-11-5-4-6-12-25/h4-16,18-21H,2-3,17,22H2,1H3,(H,38,41)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
0.320n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)


BindingDB Entry DOI: 10.7270/Q2FB51GP
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50030727
PNG
(4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C33H29F3N4O4S/c1-2-3-17-30-37-40(28-15-9-8-14-27(28)33(34,35)36)32(42)39(30)22-23-18-20-24(21-19-23)26-13-7-10-16-29(26)45(43,44)38-31(41)25-11-5-4-6-12-25/h4-16,18-21H,2-3,17,22H2,1H3,(H,38,41)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
14.2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)


BindingDB Entry DOI: 10.7270/Q2FB51GP
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50030727
PNG
(4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C33H29F3N4O4S/c1-2-3-17-30-37-40(28-15-9-8-14-27(28)33(34,35)36)32(42)39(30)22-23-18-20-24(21-19-23)26-13-7-10-16-29(26)45(43,44)38-31(41)25-11-5-4-6-12-25/h4-16,18-21H,2-3,17,22H2,1H3,(H,38,41)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 270n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards Angiotensin II receptor, type 2 to displace 125I[Sar,Ile] from rat adrenal tissue preparation


Bioorg Med Chem Lett 4: 115-120 (1994)


Article DOI: 10.1016/S0960-894X(01)81132-X
BindingDB Entry DOI: 10.7270/Q2057FT4
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50030727
PNG
(4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C33H29F3N4O4S/c1-2-3-17-30-37-40(28-15-9-8-14-27(28)33(34,35)36)32(42)39(30)22-23-18-20-24(21-19-23)26-13-7-10-16-29(26)45(43,44)38-31(41)25-11-5-4-6-12-25/h4-16,18-21H,2-3,17,22H2,1H3,(H,38,41)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II rat midbrain AT2 receptor using radioligand [125I]-Sar Ile-AII


J Med Chem 37: 2808-24 (1994)


Article DOI: 10.1021/jm00043a020
BindingDB Entry DOI: 10.7270/Q2M907QM
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50030727
PNG
(4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C33H29F3N4O4S/c1-2-3-17-30-37-40(28-15-9-8-14-27(28)33(34,35)36)32(42)39(30)22-23-18-20-24(21-19-23)26-13-7-10-16-29(26)45(43,44)38-31(41)25-11-5-4-6-12-25/h4-16,18-21H,2-3,17,22H2,1H3,(H,38,41)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against angiotensin II (AT2) receptor to competitively block the specific binding of [125I]- [Sar1,Ile8] AII to a rat mid b...


J Med Chem 37: 4464-78 (1995)


Article DOI: 10.1021/jm00052a006
BindingDB Entry DOI: 10.7270/Q2WD3ZK5
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50030727
PNG
(4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C33H29F3N4O4S/c1-2-3-17-30-37-40(28-15-9-8-14-27(28)33(34,35)36)32(42)39(30)22-23-18-20-24(21-19-23)26-13-7-10-16-29(26)45(43,44)38-31(41)25-11-5-4-6-12-25/h4-16,18-21H,2-3,17,22H2,1H3,(H,38,41)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards Angiotensin II receptor, type 2 to displace 125I[Sar,Ile] from rat brain tissue preparation


Bioorg Med Chem Lett 4: 115-120 (1994)


Article DOI: 10.1016/S0960-894X(01)81132-X
BindingDB Entry DOI: 10.7270/Q2057FT4
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50030727
PNG
(4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C33H29F3N4O4S/c1-2-3-17-30-37-40(28-15-9-8-14-27(28)33(34,35)36)32(42)39(30)22-23-18-20-24(21-19-23)26-13-7-10-16-29(26)45(43,44)38-31(41)25-11-5-4-6-12-25/h4-16,18-21H,2-3,17,22H2,1H3,(H,38,41)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Angiotensin II receptor, type 2 in rat midbrain membrane preparations.


J Med Chem 38: 3741-58 (1995)


Article DOI: 10.1021/jm00019a004
BindingDB Entry DOI: 10.7270/Q2Q81C35
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50030727
PNG
(4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C33H29F3N4O4S/c1-2-3-17-30-37-40(28-15-9-8-14-27(28)33(34,35)36)32(42)39(30)22-23-18-20-24(21-19-23)26-13-7-10-16-29(26)45(43,44)38-31(41)25-11-5-4-6-12-25/h4-16,18-21H,2-3,17,22H2,1H3,(H,38,41)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 450n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibitory activity at Angiotensin II type 2 receptor.


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