BindingDB logo
myBDB logout

BDBM50044356 5-Butyl-2-phenethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2,4-dihydro-[1,2,4]triazol-3-one::5-Butyl-2-phenethyl-4-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2,4-dihydro-[1,2,4]triazol-3-one::CHEMBL313371

SMILES: CCCCc1nn(CCc2ccccc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

InChI Key: InChIKey=KOGDEEKMGBZZPT-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50044356   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50044356
PNG
(5-Butyl-2-phenethyl-4-[2'-(1H-tetrazol-5-yl)-biphe...)
Show SMILES CCCCc1nn(CCc2ccccc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C28H29N7O/c1-2-3-13-26-31-35(19-18-21-9-5-4-6-10-21)28(36)34(26)20-22-14-16-23(17-15-22)24-11-7-8-12-25(24)27-29-32-33-30-27/h4-12,14-17H,2-3,13,18-20H2,1H3,(H,29,30,32,33)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonistic activity for angiotensin II receptor, type 1 by displacing 125I[Sar, ILe8 ]AII radioligand in rabbit aorta membrane without usi...


J Med Chem 36: 2558-68 (1993)


Article DOI: 10.1021/jm00069a015
BindingDB Entry DOI: 10.7270/Q2KP817C
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50044356
PNG
(5-Butyl-2-phenethyl-4-[2'-(1H-tetrazol-5-yl)-biphe...)
Show SMILES CCCCc1nn(CCc2ccccc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C28H29N7O/c1-2-3-13-26-31-35(19-18-21-9-5-4-6-10-21)28(36)34(26)20-22-14-16-23(17-15-22)24-11-7-8-12-25(24)27-29-32-33-30-27/h4-12,14-17H,2-3,13,18-20H2,1H3,(H,29,30,32,33)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 3.10n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-angiotensin 2 from angiotensin AT1 receptor in Rattus norvegicus (rat) uterine membranes


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50044356
PNG
(5-Butyl-2-phenethyl-4-[2'-(1H-tetrazol-5-yl)-biphe...)
Show SMILES CCCCc1nn(CCc2ccccc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C28H29N7O/c1-2-3-13-26-31-35(19-18-21-9-5-4-6-10-21)28(36)34(26)20-22-14-16-23(17-15-22)24-11-7-8-12-25(24)27-29-32-33-30-27/h4-12,14-17H,2-3,13,18-20H2,1H3,(H,29,30,32,33)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 3.10n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-angiotensin 2 from angiotensin AT1 receptor in Rattus norvegicus (rat) uterine membranes


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50044356
PNG
(5-Butyl-2-phenethyl-4-[2'-(1H-tetrazol-5-yl)-biphe...)
Show SMILES CCCCc1nn(CCc2ccccc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C28H29N7O/c1-2-3-13-26-31-35(19-18-21-9-5-4-6-10-21)28(36)34(26)20-22-14-16-23(17-15-22)24-11-7-8-12-25(24)27-29-32-33-30-27/h4-12,14-17H,2-3,13,18-20H2,1H3,(H,29,30,32,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a



Searle R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-angiotensin-II binding to the angiotensin II receptor type 1 in rat uterine membranes


J Med Chem 36: 2172-81 (1993)


Article DOI: 10.1021/jm00067a015
BindingDB Entry DOI: 10.7270/Q2C53JXM
More data for this
Ligand-Target Pair