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12 similar compounds to monomer 50232164

Compile data set for download or QSAR
Wt: 396.5
BDBM50232220
Wt: 478.9
BDBM50232159
Wt: 462.5
BDBM50232211
Wt: 476.5
BDBM50232212
Wt: 357.3
BDBM50232167
Wt: 495.5
BDBM50232171
Wt: 480.9
BDBM50232213
Wt: 476.5
BDBM50232209
Wt: 520.9
BDBM50232158
Wt: 415.2
BDBM50232163
Wt: 366.7
BDBM50232169
Wt: 476.5
BDBM50232207

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50232220,50232159,50232211,50232212,50232167,50232171,50232213,50232209,50232158,50232163,50232169,50232207   
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
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50232159
PNG
(CHEMBL4091053)
Show SMILES COc1c(Cl)cc(cc1CN1CCNCC1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C23H21ClF2N2O3S/c1-31-23-14(12-28-8-6-27-7-9-28)10-13(11-15(23)24)18-4-5-19(32-18)22(30)20-16(25)2-3-17(29)21(20)26/h2-5,10-11,27,29H,6-9,12H2,1H3
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n/an/a 4.70n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50232220
PNG
(CHEMBL4063045)
Show SMILES COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCCCCCN(C)C
Show InChI InChI=1S/C24H32N2O3/c1-26(2)17-9-4-5-10-18-29-22-15-13-20(19-23(22)28-3)14-16-24(27)25-21-11-7-6-8-12-21/h6-8,11-16,19H,4-5,9-10,17-18H2,1-3H3,(H,25,27)/b16-14+
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n/an/a 6.70n/an/an/an/an/an/a



Hu'nan University

Curated by ChEMBL


Assay Description
Inhibition of butyrylcholinesterase (unknown origin) using butyrylthiocholine iodide as substrate after 25 mins by Ellmann method


Eur J Med Chem 126: 810-822 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.003
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50232171
PNG
(CHEMBL4095004)
Show SMILES COc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C22H19F2NO6S2/c1-30-16-5-2-13(12-19(16)33(28,29)25-8-10-31-11-9-25)17-6-7-18(32-17)22(27)20-14(23)3-4-15(26)21(20)24/h2-7,12,26H,8-11H2,1H3
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n/an/a 180n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50232169
PNG
(CHEMBL4063839)
Show SMILES Oc1ccc(cc1Cl)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H9ClF2O3S/c18-9-7-8(1-3-11(9)21)13-5-6-14(24-13)17(23)15-10(19)2-4-12(22)16(15)20/h1-7,21-22H
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n/an/a 0.5n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50232163
PNG
(CHEMBL4079675)
Show SMILES COc1c(Cl)cc(cc1Cl)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C18H10Cl2F2O3S/c1-25-18-9(19)6-8(7-10(18)20)13-4-5-14(26-13)17(24)15-11(21)2-3-12(23)16(15)22/h2-7,23H,1H3
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n/an/a 41n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50232167
PNG
(CHEMBL4088861)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2ccc(O)c(c2)C#N)c1F
Show InChI InChI=1S/C18H9F2NO3S/c19-11-2-4-13(23)17(20)16(11)18(24)15-6-5-14(25-15)9-1-3-12(22)10(7-9)8-21/h1-7,22-23H
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n/an/a 29n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50232159
PNG
(CHEMBL4091053)
Show SMILES COc1c(Cl)cc(cc1CN1CCNCC1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C23H21ClF2N2O3S/c1-31-23-14(12-28-8-6-27-7-9-28)10-13(11-15(23)24)18-4-5-19(32-18)22(30)20-16(25)2-3-17(29)21(20)26/h2-5,10-11,27,29H,6-9,12H2,1H3
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n/an/a 26n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50232158
PNG
(CHEMBL4062685)
Show SMILES COc1c(Cl)cc(cc1CN1CCN(CC1)C(C)=O)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C25H23ClF2N2O4S/c1-14(31)30-9-7-29(8-10-30)13-16-11-15(12-17(26)25(16)34-2)20-5-6-21(35-20)24(33)22-18(27)3-4-19(32)23(22)28/h3-6,11-12,32H,7-10,13H2,1-2H3
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n/an/a 1.40n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50232171
PNG
(CHEMBL4095004)
Show SMILES COc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C22H19F2NO6S2/c1-30-16-5-2-13(12-19(16)33(28,29)25-8-10-31-11-9-25)17-6-7-18(32-17)22(27)20-14(23)3-4-15(26)21(20)24/h2-7,12,26H,8-11H2,1H3
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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 cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50232169
PNG
(CHEMBL4063839)
Show SMILES Oc1ccc(cc1Cl)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H9ClF2O3S/c18-9-7-8(1-3-11(9)21)13-5-6-14(24-13)17(23)15-10(19)2-4-12(22)16(15)20/h1-7,21-22H
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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 [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50232163
PNG
(CHEMBL4079675)
Show SMILES COc1c(Cl)cc(cc1Cl)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C18H10Cl2F2O3S/c1-25-18-9(19)6-8(7-10(18)20)13-4-5-14(26-13)17(24)15-11(21)2-3-12(23)16(15)22/h2-7,23H,1H3
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n/an/a 0.5n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1


(Homo sapiens (Human))
BDBM50232167
PNG
(CHEMBL4088861)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2ccc(O)c(c2)C#N)c1F
Show InChI InChI=1S/C18H9F2NO3S/c19-11-2-4-13(23)17(20)16(11)18(24)15-6-5-14(25-15)9-1-3-12(22)10(7-9)8-21/h1-7,22-23H
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n/an/a 3.30n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50232207
PNG
(CHEMBL4096160)
Show SMILES CCCc1nc2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1ccc(OC)cc1
Show InChI InChI=1S/C31H28N2O3/c1-3-6-30-32-28-19-24(22-13-16-25(36-2)17-14-22)15-18-29(28)33(30)20-21-9-11-23(12-10-21)26-7-4-5-8-27(26)31(34)35/h4-5,7-19H,3,6,20H2,1-2H3,(H,34,35)
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n/an/an/an/a 410n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Transactivation of Gal4 fused human PPARgamma LBD expressed in African green monkey COS7 cells after 42 hrs by dual luciferase reporter gene assay


Eur J Med Chem 126: 590-603 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.051
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50232209
PNG
(CHEMBL4096447)
Show SMILES CCCc1nc2ccc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1ccc(OC)cc1
Show InChI InChI=1S/C31H28N2O3/c1-3-6-30-32-28-18-15-24(22-13-16-25(36-2)17-14-22)19-29(28)33(30)20-21-9-11-23(12-10-21)26-7-4-5-8-27(26)31(34)35/h4-5,7-19H,3,6,20H2,1-2H3,(H,34,35)
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n/an/an/an/a 1.01E+3n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Transactivation of Gal4 fused human PPARgamma LBD expressed in African green monkey COS7 cells after 42 hrs by dual luciferase reporter gene assay


Eur J Med Chem 126: 590-603 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.051
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50232211
PNG
(CHEMBL4066489)
Show SMILES CCCc1nc2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1cccc(O)c1
Show InChI InChI=1S/C30H26N2O3/c1-2-6-29-31-27-18-23(22-7-5-8-24(33)17-22)15-16-28(27)32(29)19-20-11-13-21(14-12-20)25-9-3-4-10-26(25)30(34)35/h3-5,7-18,33H,2,6,19H2,1H3,(H,34,35)
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n/an/an/an/a 1.25E+3n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Transactivation of Gal4 fused human PPARgamma LBD expressed in African green monkey COS7 cells after 42 hrs by dual luciferase reporter gene assay


Eur J Med Chem 126: 590-603 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.051
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50232212
PNG
(CHEMBL4086261)
Show SMILES CCCc1nc2ccc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1cccc(OC)c1
Show InChI InChI=1S/C31H28N2O3/c1-3-7-30-32-28-17-16-24(23-8-6-9-25(18-23)36-2)19-29(28)33(30)20-21-12-14-22(15-13-21)26-10-4-5-11-27(26)31(34)35/h4-6,8-19H,3,7,20H2,1-2H3,(H,34,35)
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n/an/an/an/a 1.35E+3n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Transactivation of Gal4 fused human PPARgamma LBD expressed in African green monkey COS7 cells after 42 hrs by dual luciferase reporter gene assay


Eur J Med Chem 126: 590-603 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.051
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50232213
PNG
(CHEMBL4069460)
Show SMILES CCCc1nc2ccc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1ccccc1Cl
Show InChI InChI=1S/C30H25ClN2O2/c1-2-7-29-32-27-17-16-22(24-9-5-6-11-26(24)31)18-28(27)33(29)19-20-12-14-21(15-13-20)23-8-3-4-10-25(23)30(34)35/h3-6,8-18H,2,7,19H2,1H3,(H,34,35)
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n/an/an/an/a 1.39E+3n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Transactivation of Gal4 fused human PPARgamma LBD expressed in African green monkey COS7 cells after 42 hrs by dual luciferase reporter gene assay


Eur J Med Chem 126: 590-603 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.051
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50232220
PNG
(CHEMBL4063045)
Show SMILES COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCCCCCN(C)C
Show InChI InChI=1S/C24H32N2O3/c1-26(2)17-9-4-5-10-18-29-22-15-13-20(19-23(22)28-3)14-16-24(27)25-21-11-7-6-8-12-21/h6-8,11-16,19H,4-5,9-10,17-18H2,1-3H3,(H,25,27)/b16-14+
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n/an/a 8.40n/an/an/an/an/an/a



Hu'nan University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate after 25 mins by Ellmann method


Eur J Med Chem 126: 810-822 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.003
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50232158
PNG
(CHEMBL4062685)
Show SMILES COc1c(Cl)cc(cc1CN1CCN(CC1)C(C)=O)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C25H23ClF2N2O4S/c1-14(31)30-9-7-29(8-10-30)13-16-11-15(12-17(26)25(16)34-2)20-5-6-21(35-20)24(33)22-18(27)3-4-19(32)23(22)28/h3-6,11-12,32H,7-10,13H2,1-2H3
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n/an/a 21n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair