BindingDB logo
myBDB logout

BDBM50042228 4'-(2-Butyl-8-methyl-4-oxo-1,3-diaza-spiro[4.5]dec-1-en-3-ylmethyl)-biphenyl-2-carboxylic acid::CHEMBL114656

SMILES: CCCCC1=NC2(CCC(C)CC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1C(O)=O

InChI Key: InChIKey=XVFLOPLAYWVMDD-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50042228   
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 AT1B


(RAT)		BDBM50042228
PNG
(4'-(2-Butyl-8-methyl-4-oxo-1,3-diaza-spiro[4.5]dec...)
Show SMILES CCCCC1=NC2(CCC(C)CC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1C(O)=O |t:4,(3.07,-11.48,;4.4,-10.72,;4.4,-9.18,;5.71,-8.41,;5.74,-6.86,;4.47,-5.97,;4.95,-4.5,;3.44,-4.66,;2.55,-3.42,;3.17,-2.02,;2.27,-.78,;4.69,-1.86,;5.59,-3.1,;6.5,-4.49,;7.4,-3.25,;6.98,-5.97,;8.06,-7.04,;9.6,-7.04,;10.36,-5.7,;11.88,-5.7,;12.66,-7.04,;11.9,-8.38,;10.36,-8.38,;14.21,-7.04,;14.95,-5.7,;16.5,-5.68,;17.28,-7.02,;16.52,-8.36,;14.98,-8.36,;14.21,-9.72,;12.66,-9.72,;14.98,-11.04,)|
Show InChI InChI=1S/C27H32N2O3/c1-3-4-9-24-28-27(16-14-19(2)15-17-27)26(32)29(24)18-20-10-12-21(13-11-20)22-7-5-6-8-23(22)25(30)31/h5-8,10-13,19H,3-4,9,14-18H2,1-2H3,(H,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 66n/an/an/an/an/an/a



Sanofi Recherche

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 measured by ability to displace [125I]- A II from its specific binding site in rat liver membran...

J Med Chem 36: 3371-80 (1993)


BindingDB Entry DOI: 10.7270/Q22Z14M0
More data for this
Ligand-Target Pair