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BDBM50042746 CHEMBL122212::L-159,882::[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-2,6-dipropyl-phenoxy]-phenyl-acetic acid

SMILES: CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)cc(CCC)c1OC(C(O)=O)c1ccccc1

InChI Key: InChIKey=OOYQGDVIRBFSHS-UHFFFAOYSA-N

Data: 2 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50042746   
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)
BDBM50042746
PNG
(CHEMBL122212 | L-159,882 | [4-(2-Ethyl-5,7-dimethy...)
Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)cc(CCC)c1OC(C(O)=O)c1ccccc1
Show InChI InChI=1S/C31H37N3O3/c1-6-12-24-17-22(19-34-26(8-3)33-27-20(4)16-21(5)32-30(27)34)18-25(13-7-2)28(24)37-29(31(35)36)23-14-10-9-11-15-23/h9-11,14-18,29H,6-8,12-13,19H2,1-5H3,(H,35,36)
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UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem

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PubMed
0.800n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)


BindingDB Entry DOI: 10.7270/Q2FB51GP
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50042746
PNG
(CHEMBL122212 | L-159,882 | [4-(2-Ethyl-5,7-dimethy...)
Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)cc(CCC)c1OC(C(O)=O)c1ccccc1
Show InChI InChI=1S/C31H37N3O3/c1-6-12-24-17-22(19-34-26(8-3)33-27-20(4)16-21(5)32-30(27)34)18-25(13-7-2)28(24)37-29(31(35)36)23-14-10-9-11-15-23/h9-11,14-18,29H,6-8,12-13,19H2,1-5H3,(H,35,36)
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PubMed
127n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)


BindingDB Entry DOI: 10.7270/Q2FB51GP
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50042746
PNG
(CHEMBL122212 | L-159,882 | [4-(2-Ethyl-5,7-dimethy...)
Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)cc(CCC)c1OC(C(O)=O)c1ccccc1
Show InChI InChI=1S/C31H37N3O3/c1-6-12-24-17-22(19-34-26(8-3)33-27-20(4)16-21(5)32-30(27)34)18-25(13-7-2)28(24)37-29(31(35)36)23-14-10-9-11-15-23/h9-11,14-18,29H,6-8,12-13,19H2,1-5H3,(H,35,36)
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PubMed
n/an/a 0.900n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [1251][Sar1,IIe8]AII from rabbit aorta Angiotensin II receptor, type 1


J Med Chem 36: 3738-42 (1994)


BindingDB Entry DOI: 10.7270/Q2J1027W
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50042746
PNG
(CHEMBL122212 | L-159,882 | [4-(2-Ethyl-5,7-dimethy...)
Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)cc(CCC)c1OC(C(O)=O)c1ccccc1
Show InChI InChI=1S/C31H37N3O3/c1-6-12-24-17-22(19-34-26(8-3)33-27-20(4)16-21(5)32-30(27)34)18-25(13-7-2)28(24)37-29(31(35)36)23-14-10-9-11-15-23/h9-11,14-18,29H,6-8,12-13,19H2,1-5H3,(H,35,36)
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [1251][Sar1,IIe8]AII from rat midbrain angiotensin II (AT2) receptor


J Med Chem 36: 3738-42 (1994)


BindingDB Entry DOI: 10.7270/Q2J1027W
More data for this
Ligand-Target Pair