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BDBM50282484 2-Ethyl-5,7-dimethyl-3-{5-[2-(1H-tetrazol-5-yl)-phenyl]-indan-1-yl}-3H-imidazo[4,5-b]pyridine::CHEMBL178380

SMILES: CCc1nc2c(C)cc(C)nc2n1C1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1

InChI Key: InChIKey=PACFDFGGIPMOKL-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

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 3 hits for monomerid = 50282484   
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


(Homo sapiens (Human))
BDBM50282484
PNG
(2-Ethyl-5,7-dimethyl-3-{5-[2-(1H-tetrazol-5-yl)-ph...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1C1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C26H25N7/c1-4-23-28-24-15(2)13-16(3)27-26(24)33(23)22-12-10-18-14-17(9-11-20(18)22)19-7-5-6-8-21(19)25-29-31-32-30-25/h5-9,11,13-14,22H,4,10,12H2,1-3H3,(H,29,30,31,32)
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Article
PubMed
n/an/a 96n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after 60 mins by scintillation counting


J Med Chem 54: 4219-33 (2011)


Article DOI: 10.1021/jm200409s
BindingDB Entry DOI: 10.7270/Q2SB463J
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50282484
PNG
(2-Ethyl-5,7-dimethyl-3-{5-[2-(1H-tetrazol-5-yl)-ph...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1C1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C26H25N7/c1-4-23-28-24-15(2)13-16(3)27-26(24)33(23)22-12-10-18-14-17(9-11-20(18)22)19-7-5-6-8-21(19)25-29-31-32-30-25/h5-9,11,13-14,22H,4,10,12H2,1-3H3,(H,29,30,31,32)
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Article
n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against Angiotensin II receptor, type 1 using [125I]Sar-Ile8-AII in rat liver membranes


Citation and Details

Article DOI: 10.1016/S0960-894X(01)81128-8
BindingDB Entry DOI: 10.7270/Q2TB19MP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50282484
PNG
(2-Ethyl-5,7-dimethyl-3-{5-[2-(1H-tetrazol-5-yl)-ph...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1C1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C26H25N7/c1-4-23-28-24-15(2)13-16(3)27-26(24)33(23)22-12-10-18-14-17(9-11-20(18)22)19-7-5-6-8-21(19)25-29-31-32-30-25/h5-9,11,13-14,22H,4,10,12H2,1-3H3,(H,29,30,31,32)
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Article
PubMed
n/an/an/an/a 574n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma-LBD/Gal4 DNA binding domain by transactivation assay


J Med Chem 54: 4219-33 (2011)


Article DOI: 10.1021/jm200409s
BindingDB Entry DOI: 10.7270/Q2SB463J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)