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8 similar compounds to monomer 50126976

Compile data set for download or QSAR
Wt: 295.3
BDBM50126979
Wt: 451.5
BDBM50126986
Wt: 565.8
BDBM50126944
Wt: 599.4
BDBM50126945
Wt: 532.9
BDBM50126958
Wt: 449.5
BDBM50126966
Wt: 480.5
BDBM50126992
Wt: 331.3
BDBM50126970

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50126979,50126986,50126944,50126945,50126958,50126966,50126992,50126970   
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
Coagulation factor IX


(Homo sapiens (Human))
BDBM50126944
PNG
(CHEMBL3628949)
Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)N[C@@]2(CCc3nn4cc(C)ccc4c3C2)c2cccc(Cl)c2)c(Cl)c1
Show InChI InChI=1S/C28H23Cl3N6O/c1-16-6-7-25-21-13-28(18-4-3-5-19(29)10-18,9-8-24(21)35-36(25)14-16)33-27(38)26-22(30)11-20(12-23(26)31)37-15-32-17(2)34-37/h3-7,10-12,14-15H,8-9,13H2,1-2H3,(H,33,38)/t28-/m1/s1
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3.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human F9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 5437-43 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.078
BindingDB Entry DOI: 10.7270/Q2B859X6
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50126945
PNG
(CHEMBL3628950)
Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)N[C@@]2(CCc3nn4cc(C)ccc4c3C2)c2cccc(c2)C(F)(F)F)c(Cl)c1
Show InChI InChI=1S/C29H23Cl2F3N6O/c1-16-6-7-25-21-13-28(9-8-24(21)38-39(25)14-16,18-4-3-5-19(10-18)29(32,33)34)36-27(41)26-22(30)11-20(12-23(26)31)40-15-35-17(2)37-40/h3-7,10-12,14-15H,8-9,13H2,1-2H3,(H,36,41)/t28-/m1/s1
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4.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human F9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 5437-43 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.078
BindingDB Entry DOI: 10.7270/Q2B859X6
More data for this
Ligand-Target Pair
Glyoxalase 1 (GLO1)


(Homo sapiens (Human))
BDBM50126958
PNG
(CHEMBL3629118)
Show SMILES CC(=O)CNC(CCC(=O)NC(CSC(=O)N(O)c1ccc(Cl)cc1)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H25ClN4O9S/c1-11(26)8-22-14(19(31)32)6-7-16(27)24-15(18(30)23-9-17(28)29)10-35-20(33)25(34)13-4-2-12(21)3-5-13/h2-5,14-15,22,34H,6-10H2,1H3,(H,23,30)(H,24,27)(H,28,29)(H,31,32)
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130n/an/an/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Inhibition of human glyoxalase 1


Bioorg Med Chem Lett 25: 4724-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.055
BindingDB Entry DOI: 10.7270/Q26H4K7B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50126945
PNG
(CHEMBL3628950)
Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)N[C@@]2(CCc3nn4cc(C)ccc4c3C2)c2cccc(c2)C(F)(F)F)c(Cl)c1
Show InChI InChI=1S/C29H23Cl2F3N6O/c1-16-6-7-25-21-13-28(9-8-24(21)38-39(25)14-16,18-4-3-5-19(10-18)29(32,33)34)36-27(41)26-22(30)11-20(12-23(26)31)40-15-35-17(2)37-40/h3-7,10-12,14-15H,8-9,13H2,1-2H3,(H,36,41)/t28-/m1/s1
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1.55E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human F10a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 5437-43 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.078
BindingDB Entry DOI: 10.7270/Q2B859X6
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50126944
PNG
(CHEMBL3628949)
Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)N[C@@]2(CCc3nn4cc(C)ccc4c3C2)c2cccc(Cl)c2)c(Cl)c1
Show InChI InChI=1S/C28H23Cl3N6O/c1-16-6-7-25-21-13-28(18-4-3-5-19(29)10-18,9-8-24(21)35-36(25)14-16)33-27(38)26-22(30)11-20(12-23(26)31)37-15-32-17(2)34-37/h3-7,10-12,14-15H,8-9,13H2,1-2H3,(H,33,38)/t28-/m1/s1
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1.68E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human F10a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 5437-43 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.078
BindingDB Entry DOI: 10.7270/Q2B859X6
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50126979
PNG
(CHEMBL3629435)
Show SMILES Nc1ccc(cc1)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C17H13NO2S/c18-13-6-4-11(5-7-13)15-8-9-16(21-15)17(20)12-2-1-3-14(19)10-12/h1-10,19H,18H2
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n/an/a 120n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta HSD2 using unlabeled- and labelled [2,4,6,7-3H]-E2 as substrate incubated for 20 mins by HPLC analysi...


Eur J Med Chem 103: 56-68 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.030
BindingDB Entry DOI: 10.7270/Q22V2HXX
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50126986
PNG
(CHEMBL3629442)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1cccc(NS(=O)(=O)c2cccc(O)c2)c1
Show InChI InChI=1S/C23H17NO5S2/c25-18-7-2-5-16(13-18)23(27)22-11-10-21(30-22)15-4-1-6-17(12-15)24-31(28,29)20-9-3-8-19(26)14-20/h1-14,24-26H
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n/an/a 88n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta HSD2 using unlabeled- and labelled [2,4,6,7-3H]-E2 as substrate incubated for 20 mins by HPLC analysi...


Eur J Med Chem 103: 56-68 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.030
BindingDB Entry DOI: 10.7270/Q22V2HXX
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50126992
PNG
(CHEMBL3629447)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1cccc(NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)c1
Show InChI InChI=1S/C23H16N2O6S2/c26-19-8-2-5-16(13-19)23(27)22-11-10-21(32-22)15-4-1-6-17(12-15)24-33(30,31)20-9-3-7-18(14-20)25(28)29/h1-14,24,26H
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n/an/a 130n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta HSD2 using unlabeled- and labelled [2,4,6,7-3H]-E2 as substrate incubated for 20 mins by HPLC analysi...


Eur J Med Chem 103: 56-68 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.030
BindingDB Entry DOI: 10.7270/Q22V2HXX
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50126966
PNG
(CHEMBL3629458)
Show SMILES Cc1ccccc1S(=O)(=O)Nc1cccc(c1)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C24H19NO4S2/c1-16-6-2-3-11-23(16)31(28,29)25-19-9-4-7-17(14-19)21-12-13-22(30-21)24(27)18-8-5-10-20(26)15-18/h2-15,25-26H,1H3
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n/an/a 104n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta HSD2 using unlabeled- and labelled [2,4,6,7-3H]-E2 as substrate incubated for 20 mins by HPLC analysi...


Eur J Med Chem 103: 56-68 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.030
BindingDB Entry DOI: 10.7270/Q22V2HXX
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50126970
PNG
(CHEMBL3629584)
Show SMILES Nc1cccc(c1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H11F2NO2S/c18-11-4-5-12(21)16(19)15(11)17(22)14-7-6-13(23-14)9-2-1-3-10(20)8-9/h1-8,21H,20H2
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n/an/a 10n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta HSD1 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis


Eur J Med Chem 103: 56-68 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.030
BindingDB Entry DOI: 10.7270/Q22V2HXX
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50126966
PNG
(CHEMBL3629458)
Show SMILES Cc1ccccc1S(=O)(=O)Nc1cccc(c1)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C24H19NO4S2/c1-16-6-2-3-11-23(16)31(28,29)25-19-9-4-7-17(14-19)21-12-13-22(30-21)24(27)18-8-5-10-20(26)15-18/h2-15,25-26H,1H3
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n/an/a 17n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta HSD1 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis


Eur J Med Chem 103: 56-68 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.030
BindingDB Entry DOI: 10.7270/Q22V2HXX
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50126992
PNG
(CHEMBL3629447)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1cccc(NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)c1
Show InChI InChI=1S/C23H16N2O6S2/c26-19-8-2-5-16(13-19)23(27)22-11-10-21(32-22)15-4-1-6-17(12-15)24-33(30,31)20-9-3-7-18(14-20)25(28)29/h1-14,24,26H
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n/an/a 47n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta HSD1 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis


Eur J Med Chem 103: 56-68 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.030
BindingDB Entry DOI: 10.7270/Q22V2HXX
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50126970
PNG
(CHEMBL3629584)
Show SMILES Nc1cccc(c1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H11F2NO2S/c18-11-4-5-12(21)16(19)15(11)17(22)14-7-6-13(23-14)9-2-1-3-10(20)8-9/h1-8,21H,20H2
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n/an/a 25n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta HSD2 using unlabeled- and labelled [2,4,6,7-3H]-E2 as substrate incubated for 20 mins by HPLC analysi...


Eur J Med Chem 103: 56-68 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.030
BindingDB Entry DOI: 10.7270/Q22V2HXX
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50126979
PNG
(CHEMBL3629435)
Show SMILES Nc1ccc(cc1)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C17H13NO2S/c18-13-6-4-11(5-7-13)15-8-9-16(21-15)17(20)12-2-1-3-14(19)10-12/h1-10,19H,18H2
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n/an/a 145n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta HSD1 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis


Eur J Med Chem 103: 56-68 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.030
BindingDB Entry DOI: 10.7270/Q22V2HXX
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50126986
PNG
(CHEMBL3629442)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1cccc(NS(=O)(=O)c2cccc(O)c2)c1
Show InChI InChI=1S/C23H17NO5S2/c25-18-7-2-5-16(13-18)23(27)22-11-10-21(30-22)15-4-1-6-17(12-15)24-31(28,29)20-9-3-8-19(26)14-20/h1-14,24-26H
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n/an/a 16n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta HSD1 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis


Eur J Med Chem 103: 56-68 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.030
BindingDB Entry DOI: 10.7270/Q22V2HXX
More data for this
Ligand-Target Pair