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BDBM50047869 CHEMBL155984::N-{4-[3-Butyl-5-(3-methyl-benzylsulfanyl)-[1,2,4]triazol-4-ylmethyl]-phenyl}-phthalamic acid

SMILES: CCCCc1nnc(SCc2cccc(C)c2)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1

InChI Key: InChIKey=ULJVAWATHJODJU-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50047869   
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)
BDBM50047869
PNG
(CHEMBL155984 | N-{4-[3-Butyl-5-(3-methyl-benzylsul...)
Show SMILES CCCCc1nnc(SCc2cccc(C)c2)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C29H30N4O3S/c1-3-4-12-26-31-32-29(37-19-22-9-7-8-20(2)17-22)33(26)18-21-13-15-23(16-14-21)30-27(34)24-10-5-6-11-25(24)28(35)36/h5-11,13-17H,3-4,12,18-19H2,1-2H3,(H,30,34)(H,35,36)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

n/an/a 32n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at AT1 receptor in Oryctolagus cuniculus (rabbit) aorta


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


(RABBIT)
BDBM50047869
PNG
(CHEMBL155984 | N-{4-[3-Butyl-5-(3-methyl-benzylsul...)
Show SMILES CCCCc1nnc(SCc2cccc(C)c2)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C29H30N4O3S/c1-3-4-12-26-31-32-29(37-19-22-9-7-8-20(2)17-22)33(26)18-21-13-15-23(16-14-21)30-27(34)24-10-5-6-11-25(24)28(35)36/h5-11,13-17H,3-4,12,18-19H2,1-2H3,(H,30,34)(H,35,36)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair