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BDBM50145967 2-(3,5-Dibutyl-[1,2,4]triazol-1-ylmethyl)-5-[2-(1H-tetrazol-5-yl)-phenyl]-pyridine::2-(3,5-Dibutyl-[1,2,4]triazol-1-ylmethyl)-5-[2-(2H-tetrazol-5-yl)-phenyl]-pyridine::CHEMBL315022

SMILES: CCCCc1nc(CCCC)n(Cc2ccc(cn2)-c2ccccc2-c2nnn[nH]2)n1

InChI Key: InChIKey=XPRWTMFBVBRNJE-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50145967   
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 receptor


(RAT)
BDBM50145967
PNG
(2-(3,5-Dibutyl-[1,2,4]triazol-1-ylmethyl)-5-[2-(1H...)
Show SMILES CCCCc1nc(CCCC)n(Cc2ccc(cn2)-c2ccccc2-c2nnn[nH]2)n1
Show InChI InChI=1S/C23H28N8/c1-3-5-11-21-25-22(12-6-4-2)31(28-21)16-18-14-13-17(15-24-18)19-9-7-8-10-20(19)23-26-29-30-27-23/h7-10,13-15H,3-6,11-12,16H2,1-2H3,(H,26,27,29,30)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
n/an/a 6.80n/an/an/an/an/an/a


TBA

Assay Description
Tested in vitro for inhibition of [125I]AII to rat uterine membranes


Citation and Details

Article DOI: 10.1016/S0960-894X(01)81129-X
BindingDB Entry DOI: 10.7270/Q2PN98BK
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50145967
PNG
(2-(3,5-Dibutyl-[1,2,4]triazol-1-ylmethyl)-5-[2-(1H...)
Show SMILES CCCCc1nc(CCCC)n(Cc2ccc(cn2)-c2ccccc2-c2nnn[nH]2)n1
Show InChI InChI=1S/C23H28N8/c1-3-5-11-21-25-22(12-6-4-2)31(28-21)16-18-14-13-17(15-24-18)19-9-7-8-10-20(19)23-26-29-30-27-23/h7-10,13-15H,3-6,11-12,16H2,1-2H3,(H,26,27,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 6.80n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat angiotensin II receptor, type 1


J Med Chem 47: 2574-86 (2004)


Article DOI: 10.1021/jm031100t
BindingDB Entry DOI: 10.7270/Q25X28DX
More data for this
Ligand-Target Pair