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7 similar compounds to monomer 50234955

Compile data set for download or QSAR
Wt: 514.8
BDBM50110066
Wt: 472.9
BDBM50110074
Wt: 450.9
BDBM50110077
Wt: 422.9
BDBM50110078
Wt: 738.3
BDBM50234962
Wt: 574.7
BDBM50234953
Wt: 587.8
BDBM50234954

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50110066,50110074,50110077,50110078,50234962,50234953,50234954   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucagon receptor


(Homo sapiens (Human))
BDBM50110066
PNG
(3-Chloro-4-hydroxy-benzoic acid [1-[4-(4-trifluoro...)
Show SMILES Oc1ccc(cc1Cl)C(=O)N\N=C\c1ccc(OCc2ccc(OC(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C26H18ClF3N2O4/c27-22-13-17(7-11-23(22)33)25(34)32-31-14-18-8-12-24(21-4-2-1-3-20(18)21)35-15-16-5-9-19(10-6-16)36-26(28,29)30/h1-14,33H,15H2,(H,32,34)/b31-14+
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n/an/a 58n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human glucagon receptor using [127I]-labeled glucagon


Bioorg Med Chem Lett 12: 663-6 (2002)


Article DOI: 10.1016/s0960-894x(01)00819-8
BindingDB Entry DOI: 10.7270/Q2J67G77
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50110074
PNG
(3-Chloro-4-hydroxy-benzoic acid [1-[4-(4-isopropyl...)
Show SMILES CC(C)c1ccc(COc2ccc(\C=N\NC(=O)c3ccc(O)c(Cl)c3)c3ccccc23)cc1
Show InChI InChI=1S/C28H25ClN2O3/c1-18(2)20-9-7-19(8-10-20)17-34-27-14-12-22(23-5-3-4-6-24(23)27)16-30-31-28(33)21-11-13-26(32)25(29)15-21/h3-16,18,32H,17H2,1-2H3,(H,31,33)/b30-16+
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n/an/a 53n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human glucagon receptor using [127I]-labeled glucagon


Bioorg Med Chem Lett 12: 663-6 (2002)


Article DOI: 10.1016/s0960-894x(01)00819-8
BindingDB Entry DOI: 10.7270/Q2J67G77
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50110077
PNG
(3-Chloro-4-hydroxy-benzoic acid [1-[4-(4-isopropyl...)
Show SMILES CC(C)c1ccc(COc2c(C)cc(\C=N\NC(=O)c3ccc(O)c(Cl)c3)cc2C)cc1
Show InChI InChI=1S/C26H27ClN2O3/c1-16(2)21-7-5-19(6-8-21)15-32-25-17(3)11-20(12-18(25)4)14-28-29-26(31)22-9-10-24(30)23(27)13-22/h5-14,16,30H,15H2,1-4H3,(H,29,31)/b28-14+
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n/an/a 330n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human glucagon receptor using [127I]-labeled glucagon


Bioorg Med Chem Lett 12: 663-6 (2002)


Article DOI: 10.1016/s0960-894x(01)00819-8
BindingDB Entry DOI: 10.7270/Q2J67G77
More data for this
Ligand-Target Pair
Ephrin type-A receptor 2


(Mus musculus)
BDBM50234954
PNG
(CHEMBL4089696)
Show SMILES C[C@H](CCC(=O)N[C@H](CC(O)=O)Cc1cccc2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C38H53NO4/c1-24(11-16-35(41)39-28(23-36(42)43)21-26-9-6-8-25-7-4-5-10-30(25)26)32-14-15-33-31-13-12-27-22-29(40)17-19-37(27,2)34(31)18-20-38(32,33)3/h4-10,24,27-29,31-34,40H,11-23H2,1-3H3,(H,39,41)(H,42,43)/t24-,27-,28+,29-,31+,32-,33+,34+,37+,38-/m1/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of biotinylated ephrin-A1-Fc from recombinant mouse EphA2 receptor preincubated for 1 hr followed by biotinylated ephrin-A1-Fc addition ...


J Med Chem 60: 787-796 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01642
BindingDB Entry DOI: 10.7270/Q2R78HHT
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50110074
PNG
(3-Chloro-4-hydroxy-benzoic acid [1-[4-(4-isopropyl...)
Show SMILES CC(C)c1ccc(COc2ccc(\C=N\NC(=O)c3ccc(O)c(Cl)c3)c3ccccc23)cc1
Show InChI InChI=1S/C28H25ClN2O3/c1-18(2)20-9-7-19(8-10-20)17-34-27-14-12-22(23-5-3-4-6-24(23)27)16-30-31-28(33)21-11-13-26(32)25(29)15-21/h3-16,18,32H,17H2,1-2H3,(H,31,33)/b30-16+
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n/an/a 4.30n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity for recombinant human glucagon receptor (hGGR) in BHK cells


J Med Chem 45: 5755-75 (2002)


Article DOI: 10.1021/jm0208572
BindingDB Entry DOI: 10.7270/Q26W99FD
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50234962
PNG
(CHEMBL4078056)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCC(CC1)C(=O)NCc1nccs1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C37H48ClN7O5S/c1-37(2,3)24-42-31(46)21-30(44-36(50)45-18-15-26(16-19-45)33(47)41-23-32-39-17-20-51-32)35(49)43-29(14-13-25-9-5-4-6-10-25)34(48)40-22-27-11-7-8-12-28(27)38/h4-12,17,20,26,29-30H,13-16,18-19,21-24H2,1-3H3,(H,40,48)(H,41,47)(H,42,46)(H,43,49)(H,44,50)/t29-,30-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome pretreated for 15 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substrate addition by flu...


Eur J Med Chem 126: 1056-1070 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.034
BindingDB Entry DOI: 10.7270/Q2MK6G4X
More data for this
Ligand-Target Pair
Ephrin type-A receptor 2


(Mus musculus)
BDBM50234953
PNG
(CHEMBL4081825)
Show SMILES C[C@H](CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C36H50N2O4/c1-22(8-13-33(40)38-25(20-34(41)42)18-23-21-37-32-7-5-4-6-27(23)32)29-11-12-30-28-10-9-24-19-26(39)14-16-35(24,2)31(28)15-17-36(29,30)3/h4-7,21-22,24-25,28-31,37H,8-20H2,1-3H3,(H,38,40)(H,41,42)/t22-,24-,25+,28+,29-,30+,31+,35+,36-/m1/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of biotinylated ephrin-A1-Fc from recombinant mouse EphA2 receptor preincubated for 1 hr followed by biotinylated ephrin-A1-Fc addition ...


J Med Chem 60: 787-796 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01642
BindingDB Entry DOI: 10.7270/Q2R78HHT
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50110078
PNG
(3-Chloro-4-hydroxy-benzoic acid [1-[4-(4-isopropyl...)
Show SMILES CC(C)c1ccc(COc2ccc(\C=N\NC(=O)c3ccc(O)c(Cl)c3)cc2)cc1
Show InChI InChI=1S/C24H23ClN2O3/c1-16(2)19-7-3-18(4-8-19)15-30-21-10-5-17(6-11-21)14-26-27-24(29)20-9-12-23(28)22(25)13-20/h3-14,16,28H,15H2,1-2H3,(H,27,29)/b26-14+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human glucagon receptor using [127I]-labeled glucagon


Bioorg Med Chem Lett 12: 663-6 (2002)


Article DOI: 10.1016/s0960-894x(01)00819-8
BindingDB Entry DOI: 10.7270/Q2J67G77
More data for this
Ligand-Target Pair