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7 similar compounds to monomer 50126974

Compile data set for download or QSAR
Wt: 463.5
BDBM50126978
Wt: 295.3
BDBM50126979
Wt: 556.4
BDBM50126953
Wt: 541.4
BDBM50126955
Wt: 415.4
BDBM50126988
Wt: 449.5
BDBM50126966
Wt: 577.0
BDBM50126957

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50126978,50126979,50126953,50126955,50126988,50126966,50126957   
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))
BDBM50126955
PNG
(CHEMBL3628960)
Show SMILES Cc1ccc2n3C[C@@](CCc3c(C#N)c2c1)(NC(=O)c1c(Cl)cc(cc1Cl)-n1cnnc1)c1ccccc1
Show InChI InChI=1S/C29H22Cl2N6O/c1-18-7-8-25-21(11-18)22(14-32)26-9-10-29(15-37(25)26,19-5-3-2-4-6-19)35-28(38)27-23(30)12-20(13-24(27)31)36-16-33-34-17-36/h2-8,11-13,16-17H,9-10,15H2,1H3,(H,35,38)/t29-/m1/s1
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5.10n/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))
BDBM50126953
PNG
(CHEMBL3628958)
Show SMILES Cc1ccc2n3C[C@@](CCc3c(C3CC3)c2c1)(NC(=O)c1c(Cl)cc(cc1Cl)-n1cnnc1)c1ccccc1
Show InChI InChI=1S/C31H27Cl2N5O/c1-19-7-10-26-23(13-19)28(20-8-9-20)27-11-12-31(16-38(26)27,21-5-3-2-4-6-21)36-30(39)29-24(32)14-22(15-25(29)33)37-17-34-35-18-37/h2-7,10,13-15,17-18,20H,8-9,11-12,16H2,1H3,(H,36,39)/t31-/m1/s1
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8n/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))
BDBM50126957
PNG
(CHEMBL3629119)
Show SMILES CCOC(=O)CCNC(CCC(=O)NC(CSC(=O)N(O)c1ccc(Cl)cc1)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H29ClN4O10S/c1-2-37-19(31)9-10-24-15(21(33)34)7-8-17(28)26-16(20(32)25-11-18(29)30)12-38-22(35)27(36)14-5-3-13(23)4-6-14/h3-6,15-16,24,36H,2,7-12H2,1H3,(H,25,32)(H,26,28)(H,29,30)(H,33,34)
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46n/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))
BDBM50126955
PNG
(CHEMBL3628960)
Show SMILES Cc1ccc2n3C[C@@](CCc3c(C#N)c2c1)(NC(=O)c1c(Cl)cc(cc1Cl)-n1cnnc1)c1ccccc1
Show InChI InChI=1S/C29H22Cl2N6O/c1-18-7-8-25-21(11-18)22(14-32)26-9-10-29(15-37(25)26,19-5-3-2-4-6-19)35-28(38)27-23(30)12-20(13-24(27)31)36-16-33-34-17-36/h2-8,11-13,16-17H,9-10,15H2,1H3,(H,35,38)/t29-/m1/s1
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1.08E+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))
BDBM50126953
PNG
(CHEMBL3628958)
Show SMILES Cc1ccc2n3C[C@@](CCc3c(C3CC3)c2c1)(NC(=O)c1c(Cl)cc(cc1Cl)-n1cnnc1)c1ccccc1
Show InChI InChI=1S/C31H27Cl2N5O/c1-19-7-10-26-23(13-19)28(20-8-9-20)27-11-12-31(16-38(26)27,21-5-3-2-4-6-21)36-30(39)29-24(32)14-22(15-25(29)33)37-17-34-35-18-37/h2-7,10,13-15,17-18,20H,8-9,11-12,16H2,1H3,(H,36,39)/t31-/m1/s1
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1.42E+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))
BDBM50126988
PNG
(CHEMBL3629443)
Show SMILES Oc1cccc(c1)C(=O)Nc1cccc(c1)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C24H17NO4S/c26-19-8-2-5-16(13-19)23(28)22-11-10-21(30-22)15-4-1-7-18(12-15)25-24(29)17-6-3-9-20(27)14-17/h1-14,26-27H,(H,25,29)
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n/an/a 159n/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


(Mus musculus)
BDBM50126978
PNG
(CHEMBL3629592)
Show SMILES CN(c1cc(C)cc(c1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F)S(=O)(=O)C1CC1
Show InChI InChI=1S/C22H19F2NO4S2/c1-12-9-13(11-14(10-12)25(2)31(28,29)15-3-4-15)18-7-8-19(30-18)22(27)20-16(23)5-6-17(26)21(20)24/h5-11,15,26H,3-4H2,1-2H3
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n/an/a 510n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse 17beta HSD1 expressed in HEK293 cells using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 min...


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


(Mus musculus)
BDBM50126978
PNG
(CHEMBL3629592)
Show SMILES CN(c1cc(C)cc(c1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F)S(=O)(=O)C1CC1
Show InChI InChI=1S/C22H19F2NO4S2/c1-12-9-13(11-14(10-12)25(2)31(28,29)15-3-4-15)18-7-8-19(30-18)22(27)20-16(23)5-6-17(26)21(20)24/h5-11,15,26H,3-4H2,1-2H3
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n/an/a 129n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of mouse liver microsomal 17beta HSD2 using unlabeled- and labelled [2,4,6,7-3H]-E2 as substrate incubated for 20 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))
BDBM50126978
PNG
(CHEMBL3629592)
Show SMILES CN(c1cc(C)cc(c1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F)S(=O)(=O)C1CC1
Show InChI InChI=1S/C22H19F2NO4S2/c1-12-9-13(11-14(10-12)25(2)31(28,29)15-3-4-15)18-7-8-19(30-18)22(27)20-16(23)5-6-17(26)21(20)24/h5-11,15,26H,3-4H2,1-2H3
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n/an/a 5n/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))
BDBM50126988
PNG
(CHEMBL3629443)
Show SMILES Oc1cccc(c1)C(=O)Nc1cccc(c1)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C24H17NO4S/c26-19-8-2-5-16(13-19)23(28)22-11-10-21(30-22)15-4-1-7-18(12-15)25-24(29)17-6-3-9-20(27)14-17/h1-14,26-27H,(H,25,29)
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n/an/a 33n/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))
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 2


(Homo sapiens (Human))
BDBM50126978
PNG
(CHEMBL3629592)
Show SMILES CN(c1cc(C)cc(c1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F)S(=O)(=O)C1CC1
Show InChI InChI=1S/C22H19F2NO4S2/c1-12-9-13(11-14(10-12)25(2)31(28,29)15-3-4-15)18-7-8-19(30-18)22(27)20-16(23)5-6-17(26)21(20)24/h5-11,15,26H,3-4H2,1-2H3
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n/an/a 20n/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