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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Angiotensin II type 1a (AT-1a) receptor' and Ligand = 'BDBM50044543'   
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 type 1a (AT-1a) receptor


(RABBIT)
BDBM50044543
PNG
(5-Butyl-2-(2-isopropyl-phenyl)-4-[2'-(1H-tetrazol-...)
Show SMILES CCCCc1nn(-c2ccccc2C(C)C)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C29H31N7O/c1-4-5-14-27-32-36(26-13-9-8-10-23(26)20(2)3)29(37)35(27)19-21-15-17-22(18-16-21)24-11-6-7-12-25(24)28-30-33-34-31-28/h6-13,15-18,20H,4-5,14,19H2,1-3H3,(H,30,31,33,34)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40n/an/an/an/an/an/an/an/a



NeoGenesis, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Angiotensin II receptor, type 1


J Med Chem 43: 1993-2006 (2000)


Article DOI: 10.1021/jm990504b
BindingDB Entry DOI: 10.7270/Q2MP53ZS
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50044543
PNG
(5-Butyl-2-(2-isopropyl-phenyl)-4-[2'-(1H-tetrazol-...)
Show SMILES CCCCc1nn(-c2ccccc2C(C)C)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C29H31N7O/c1-4-5-14-27-32-36(26-13-9-8-10-23(26)20(2)3)29(37)35(27)19-21-15-17-22(18-16-21)24-11-6-7-12-25(24)28-30-33-34-31-28/h6-13,15-18,20H,4-5,14,19H2,1-3H3,(H,30,31,33,34)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/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