BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50039015   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
AGTR1


(RAT)
BDBM50043280
PNG
(4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidaz...)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C
Show InChI InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
0.230n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303975
PNG
(3'-(4-(2-(1H-Tetrazol-5-yl)ethyl)benzyl)-1,7'-dime...)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(CCc2nnn[nH]2)cc1)-c1nc2ccccc2n1C
Show InChI InChI=1S/C29H30N8/c1-4-7-27-31-28-19(2)16-22(29-30-23-8-5-6-9-24(23)36(29)3)17-25(28)37(27)18-21-12-10-20(11-13-21)14-15-26-32-34-35-33-26/h5-6,8-13,16-17H,4,7,14-15,18H2,1-3H3,(H,32,33,34,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13.4n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303976
PNG
(3'-(2-(4-(2-(1H-Tetrazol-5-yl)ethyl)phenoxy)ethyl)...)
Show SMILES CCCc1nc2c(C)cc(cc2n1CCOc1ccc(CCc2nnn[nH]2)cc1)-c1nc2ccccc2n1C
Show InChI InChI=1S/C30H32N8O/c1-4-7-28-32-29-20(2)18-22(30-31-24-8-5-6-9-25(24)37(30)3)19-26(29)38(28)16-17-39-23-13-10-21(11-14-23)12-15-27-33-35-36-34-27/h5-6,8-11,13-14,18-19H,4,7,12,15-17H2,1-3H3,(H,33,34,35,36)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.62E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303977
PNG
(3-(4-(2-(1,7'-Dimethyl-2'-propyl-1H,3'H-2,5'-biben...)
Show SMILES CCCc1nc2c(C)cc(cc2n1CCOc1ccc(CC(C)(Oc2ccccc2)C(O)=O)cc1)-c1nc2ccccc2n1C
Show InChI InChI=1S/C37H38N4O4/c1-5-11-33-39-34-25(2)22-27(35-38-30-14-9-10-15-31(30)40(35)4)23-32(34)41(33)20-21-44-28-18-16-26(17-19-28)24-37(3,36(42)43)45-29-12-7-6-8-13-29/h6-10,12-19,22-23H,5,11,20-21,24H2,1-4H3,(H,42,43)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.23E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303979
PNG
(CHEMBL571763 | Ethyl 3-(4-(2-(1,7'-Dimethyl-2'-pro...)
Show SMILES CCCc1nc2c(C)cc(cc2n1CCOc1ccc(CC(C)(Oc2ccccc2)C(=O)OCC)cc1)-c1nc2ccccc2n1C
Show InChI InChI=1S/C39H42N4O4/c1-6-13-35-41-36-27(3)24-29(37-40-32-16-11-12-17-33(32)42(37)5)25-34(36)43(35)22-23-46-30-20-18-28(19-21-30)26-39(4,38(44)45-7-2)47-31-14-9-8-10-15-31/h8-12,14-21,24-25H,6-7,13,22-23,26H2,1-5H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.53E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303978
PNG
(1-(4-(2-(1H-tetrazol-5-yl)ethyl)benzyl)-4-methyl-2...)
Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(CCc2nnn[nH]2)cc1
Show InChI InChI=1S/C21H24N6/c1-3-5-20-22-21-15(2)6-4-7-18(21)27(20)14-17-10-8-16(9-11-17)12-13-19-23-25-26-24-19/h4,6-11H,3,5,12-14H2,1-2H3,(H,23,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.84E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303980
PNG
(1-(4-((1H-Tetrazol-5-yl)methoxy)benzyl)-4-methyl-2...)
Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(OCc2nnn[nH]2)cc1
Show InChI InChI=1S/C20H22N6O/c1-3-5-19-21-20-14(2)6-4-7-17(20)26(19)12-15-8-10-16(11-9-15)27-13-18-22-24-25-23-18/h4,6-11H,3,5,12-13H2,1-2H3,(H,22,23,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.06E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303985
PNG
(CHEMBL567269 | Ethyl 2,2-Dimethyl-3-(4-(2-(4-methy...)
Show SMILES CCCc1nc2c(C)cccc2n1CCOc1ccc(CC(C)(C)C(=O)OCC)cc1
Show InChI InChI=1S/C26H34N2O3/c1-6-9-23-27-24-19(3)10-8-11-22(24)28(23)16-17-31-21-14-12-20(13-15-21)18-26(4,5)25(29)30-7-2/h8,10-15H,6-7,9,16-18H2,1-5H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303986
PNG
(CHEMBL584704 | Ethyl 2-Methyl-3-(4-(2-(4-methyl-2-...)
Show SMILES CCCc1nc2c(C)cccc2n1CCOc1ccc(CC(C)(Oc2ccccc2)C(=O)OCC)cc1
Show InChI InChI=1S/C31H36N2O4/c1-5-11-28-32-29-23(3)12-10-15-27(29)33(28)20-21-36-25-18-16-24(17-19-25)22-31(4,30(34)35-6-2)37-26-13-8-7-9-14-26/h7-10,12-19H,5-6,11,20-22H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303981
PNG
(CHEMBL567063 | Ethyl 3-(4-((4-Methyl-2-propyl-1H-b...)
Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(\C=C\C(=O)OCC)cc1
Show InChI InChI=1S/C23H26N2O2/c1-4-7-21-24-23-17(3)8-6-9-20(23)25(21)16-19-12-10-18(11-13-19)14-15-22(26)27-5-2/h6,8-15H,4-5,7,16H2,1-3H3/b15-14+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303982
PNG
(CHEMBL567689 | Methyl 3-(4-((4-Methyl-2-propyl-1H-...)
Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(CCC(=O)OCC)cc1
Show InChI InChI=1S/C23H28N2O2/c1-4-7-21-24-23-17(3)8-6-9-20(23)25(21)16-19-12-10-18(11-13-19)14-15-22(26)27-5-2/h6,8-13H,4-5,7,14-16H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303983
PNG
(CHEMBL565793 | ethyl 2-(4-((4-methyl-2-propyl-1H-b...)
Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(OCC(=O)OCC)cc1
Show InChI InChI=1S/C22H26N2O3/c1-4-7-20-23-22-16(3)8-6-9-19(22)24(20)14-17-10-12-18(13-11-17)27-15-21(25)26-5-2/h6,8-13H,4-5,7,14-15H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303984
PNG
(CHEMBL565379 | Ethyl 2-Methyl-2-(4-((4-methyl-2-pr...)
Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(OC(C)(C)C(=O)OCC)cc1
Show InChI InChI=1S/C24H30N2O3/c1-6-9-21-25-22-17(3)10-8-11-20(22)26(21)16-18-12-14-19(15-13-18)29-24(4,5)23(27)28-7-2/h8,10-15H,6-7,9,16H2,1-5H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50303986
PNG
(CHEMBL584704 | Ethyl 2-Methyl-3-(4-(2-(4-methyl-2-...)
Show SMILES CCCc1nc2c(C)cccc2n1CCOc1ccc(CC(C)(Oc2ccccc2)C(=O)OCC)cc1
Show InChI InChI=1S/C31H36N2O4/c1-5-11-28-32-29-23(3)12-10-15-27(29)33(28)20-21-36-25-18-16-24(17-19-25)22-31(4,30(34)35-6-2)37-26-13-8-7-9-14-26/h7-10,12-19H,5-6,11,20-22H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 300n/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha assessed as receptor transactivation by reporter gene assay


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM24566
PNG
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/an/an/a 700n/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha assessed as receptor transactivation by reporter gene assay


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)