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BDBM50003155 4-{Butyl-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-pyrimidine-5-carboxylic acid::4-{Butyl-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-pyrimidine-5-carboxylic acid;5Hydro chloride::CHEMBL1237157::CHEMBL333534

SMILES: CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1ncncc1C(O)=O

InChI Key: InChIKey=AHZXSVWCNDLJER-UHFFFAOYSA-N

Data: 2 KI  1 Kd

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50003155   
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
AGTR1


(RAT)
BDBM50003155
PNG
(4-{Butyl-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1ncncc1C(O)=O
Show InChI InChI=1S/C23H23N7O2/c1-2-3-12-30(22-20(23(31)32)13-24-15-25-22)14-16-8-10-17(11-9-16)18-6-4-5-7-19(18)21-26-28-29-27-21/h4-11,13,15H,2-3,12,14H2,1H3,(H,31,32)(H,26,27,28,29)
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
1.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against angiotensin II receptor from rat liver


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


(RAT)
BDBM50003155
PNG
(4-{Butyl-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1ncncc1C(O)=O
Show InChI InChI=1S/C23H23N7O2/c1-2-3-12-30(22-20(23(31)32)13-24-15-25-22)14-16-8-10-17(11-9-16)18-6-4-5-7-19(18)21-26-28-29-27-21/h4-11,13,15H,2-3,12,14H2,1H3,(H,31,32)(H,26,27,28,29)
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PubMed
3.13n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against angiotensin II receptor, type 1 in rat liver


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


(RABBIT)
BDBM50003155
PNG
(4-{Butyl-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1ncncc1C(O)=O
Show InChI InChI=1S/C23H23N7O2/c1-2-3-12-30(22-20(23(31)32)13-24-15-25-22)14-16-8-10-17(11-9-16)18-6-4-5-7-19(18)21-26-28-29-27-21/h4-11,13,15H,2-3,12,14H2,1H3,(H,31,32)(H,26,27,28,29)
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/a 0.117n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro potency against angiotensin II receptor, type 1 in isolated rabbit aorta


Citation and Details
More data for this
Ligand-Target Pair