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BDBM50043477 CHEMBL135704::[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-2-methyl-phenylamino]-phenyl-acetic acid

SMILES: CCc1nc2c(C)cc(C)nc2n1Cc1ccc(NC(C(O)=O)c2ccccc2)c(C)c1

InChI Key: InChIKey=YZWCYHQBPSQNPQ-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 = 50043477   
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 AT2


(RAT)
BDBM50043477
PNG
(CHEMBL135704 | [4-(2-Ethyl-5,7-dimethyl-imidazo[4,...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(NC(C(O)=O)c2ccccc2)c(C)c1
Show InChI InChI=1S/C26H28N4O2/c1-5-22-29-23-17(3)13-18(4)27-25(23)30(22)15-19-11-12-21(16(2)14-19)28-24(26(31)32)20-9-7-6-8-10-20/h6-14,24,28H,5,15H2,1-4H3,(H,31,32)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonist activity against angiotensin II type 2 (AT2) receptor in rat midbrain using [125I]- Sar, Ile AII.


J Med Chem 36: 4239-49 (1994)


BindingDB Entry DOI: 10.7270/Q22V2F6P
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50043477
PNG
(CHEMBL135704 | [4-(2-Ethyl-5,7-dimethyl-imidazo[4,...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(NC(C(O)=O)c2ccccc2)c(C)c1
Show InChI InChI=1S/C26H28N4O2/c1-5-22-29-23-17(3)13-18(4)27-25(23)30(22)15-19-11-12-21(16(2)14-19)28-24(26(31)32)20-9-7-6-8-10-20/h6-14,24,28H,5,15H2,1-4H3,(H,31,32)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonist activity against angiotensin II receptor type 1 in rabbit aorta using [125I]-Sar, Ile AII.


J Med Chem 36: 4239-49 (1994)


BindingDB Entry DOI: 10.7270/Q22V2F6P
More data for this
Ligand-Target Pair