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Compile Data Set for Download or QSAR

Found 22 hits with Last Name = 'dhiman' and Initial = 'm'   
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
Estrogen receptor


(Homo sapiens (Human))
BDBM50294178
PNG
(CHEMBL4160682)
Show SMILES Cc1cc(C)c2nc([nH]c2c1)-c1cc2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C24H21N3/c1-16-12-17(2)23-20(13-16)25-24(26-23)22-14-19-10-6-7-11-21(19)27(22)15-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,25,26)
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n/an/a 33n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis


Eur J Med Chem 146: 206-219 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.051
BindingDB Entry DOI: 10.7270/Q20C4Z9J
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50294174
PNG
(CHEMBL4170939)
Show SMILES O=C(c1ccccc1)c1ccc2[nH]c(nc2c1)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C22H15N3O/c26-21(14-6-2-1-3-7-14)16-10-11-18-19(13-16)25-22(24-18)20-12-15-8-4-5-9-17(15)23-20/h1-13,23H,(H,24,25)
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n/an/a 47n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis


Eur J Med Chem 146: 206-219 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.051
BindingDB Entry DOI: 10.7270/Q20C4Z9J
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50294181
PNG
(CHEMBL4169456)
Show SMILES Brc1ccc2[nH]c(nc2c1)-c1cc2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H16BrN3/c23-17-10-11-18-19(13-17)25-22(24-18)21-12-16-8-4-5-9-20(16)26(21)14-15-6-2-1-3-7-15/h1-13H,14H2,(H,24,25)
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n/an/a 74n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis


Eur J Med Chem 146: 206-219 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.051
BindingDB Entry DOI: 10.7270/Q20C4Z9J
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50294182
PNG
(CHEMBL4161120)
Show SMILES Clc1cc2nc([nH]c2cc1Cl)-c1cc2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H15Cl2N3/c23-16-11-18-19(12-17(16)24)26-22(25-18)21-10-15-8-4-5-9-20(15)27(21)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,25,26)
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n/an/a 77n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis


Eur J Med Chem 146: 206-219 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.051
BindingDB Entry DOI: 10.7270/Q20C4Z9J
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50294175
PNG
(CHEMBL4167567)
Show SMILES Brc1ccc2[nH]c(nc2c1)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C15H10BrN3/c16-10-5-6-12-13(8-10)19-15(18-12)14-7-9-3-1-2-4-11(9)17-14/h1-8,17H,(H,18,19)
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n/an/a 80n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis


Eur J Med Chem 146: 206-219 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.051
BindingDB Entry DOI: 10.7270/Q20C4Z9J
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50294185
PNG
(CHEMBL4168369)
Show SMILES Cc1cccc2[nH]c(nc12)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C16H13N3/c1-10-5-4-8-13-15(10)19-16(18-13)14-9-11-6-2-3-7-12(11)17-14/h2-9,17H,1H3,(H,18,19)
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n/an/a 192n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis


Eur J Med Chem 146: 206-219 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.051
BindingDB Entry DOI: 10.7270/Q20C4Z9J
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50294176
PNG
(CHEMBL4164124)
Show SMILES c1c([nH]c2ccccc12)-c1nc2cccc3cccc([nH]1)c23
Show InChI InChI=1S/C19H13N3/c1-2-8-14-13(5-1)11-17(20-14)19-21-15-9-3-6-12-7-4-10-16(22-19)18(12)15/h1-11,20H,(H,21,22)
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n/an/a 202n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis


Eur J Med Chem 146: 206-219 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.051
BindingDB Entry DOI: 10.7270/Q20C4Z9J
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50294179
PNG
(CHEMBL4168602)
Show SMILES C(c1ccccc1)n1c(cc2ccccc12)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C22H17N3/c1-2-8-16(9-3-1)15-25-20-13-7-4-10-17(20)14-21(25)22-23-18-11-5-6-12-19(18)24-22/h1-14H,15H2,(H,23,24)
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n/an/a 259n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis


Eur J Med Chem 146: 206-219 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.051
BindingDB Entry DOI: 10.7270/Q20C4Z9J
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50294180
PNG
(CHEMBL4164944)
Show SMILES Brc1cnc2[nH]c(nc2c1)-c1cc2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C21H15BrN4/c22-16-11-17-20(23-12-16)25-21(24-17)19-10-15-8-4-5-9-18(15)26(19)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,23,24,25)
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n/an/a 300n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis


Eur J Med Chem 146: 206-219 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.051
BindingDB Entry DOI: 10.7270/Q20C4Z9J
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50294177
PNG
(CHEMBL4170073)
Show SMILES Cc1cccc2[nH]c(nc12)-c1cc2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C23H19N3/c1-16-8-7-12-19-22(16)25-23(24-19)21-14-18-11-5-6-13-20(18)26(21)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,24,25)
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n/an/a 387n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis


Eur J Med Chem 146: 206-219 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.051
BindingDB Entry DOI: 10.7270/Q20C4Z9J
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50294183
PNG
(CHEMBL4171721)
Show SMILES BrC1=CN2NC(=NC2N=C1)c1cc2ccccc2n1Cc1ccccc1 |c:5,9,t:1|
Show InChI InChI=1S/C20H16BrN5/c21-16-11-22-20-23-19(24-26(20)13-16)18-10-15-8-4-5-9-17(15)25(18)12-14-6-2-1-3-7-14/h1-11,13,20H,12H2,(H,23,24)
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n/an/a 539n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis


Eur J Med Chem 146: 206-219 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.051
BindingDB Entry DOI: 10.7270/Q20C4Z9J
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50454051
PNG
(CHEMBL4207636)
Show SMILES CC1CC(=O)C2=C(C1)OC1=C(C2c2cc3ccccc3n2Cc2ccccc2)C(=O)CCC1 |c:5,10|
Show InChI InChI=1S/C29H27NO3/c1-18-14-24(32)29-26(15-18)33-25-13-7-12-23(31)28(25)27(29)22-16-20-10-5-6-11-21(20)30(22)17-19-8-3-2-4-9-19/h2-6,8-11,16,18,27H,7,12-15,17H2,1H3
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n/an/a 1.66E+4n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of Fluormone-tagged ES2 from human recombinant ERalpha after 2 hrs by fluorescence polarization assay


Bioorg Med Chem 26: 266-277 (2018)


Article DOI: 10.1016/j.bmc.2017.11.040
BindingDB Entry DOI: 10.7270/Q2K64MNF
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50454049
PNG
(CHEMBL4214332)
Show SMILES CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2cc3ccccc3n2Cc2ccccc2)C(=O)CCC1 |c:6,11|
Show InChI InChI=1S/C30H29NO3/c1-30(2)16-24(33)29-26(17-30)34-25-14-8-13-23(32)28(25)27(29)22-15-20-11-6-7-12-21(20)31(22)18-19-9-4-3-5-10-19/h3-7,9-12,15,27H,8,13-14,16-18H2,1-2H3
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n/an/a 1.84E+4n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of Fluormone-tagged ES2 from human recombinant ERalpha after 2 hrs by fluorescence polarization assay


Bioorg Med Chem 26: 266-277 (2018)


Article DOI: 10.1016/j.bmc.2017.11.040
BindingDB Entry DOI: 10.7270/Q2K64MNF
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50454048
PNG
(CHEMBL4213826)
Show SMILES CC1CC(=O)C2=C(C1)OC1=C(C2c2cc3ccccc3n2Cc2ccccc2)C(=O)CC(C)(C)C1 |c:5,10|
Show InChI InChI=1S/C31H31NO3/c1-19-13-24(33)29-26(14-19)35-27-17-31(2,3)16-25(34)30(27)28(29)23-15-21-11-7-8-12-22(21)32(23)18-20-9-5-4-6-10-20/h4-12,15,19,28H,13-14,16-18H2,1-3H3
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n/an/a 2.66E+4n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of Fluormone-tagged ES2 from human recombinant ERalpha after 2 hrs by fluorescence polarization assay


Bioorg Med Chem 26: 266-277 (2018)


Article DOI: 10.1016/j.bmc.2017.11.040
BindingDB Entry DOI: 10.7270/Q2K64MNF
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50099585
PNG
(1-(4-(2-(azepan-1-yl)ethoxy)benzyl)-2-(4-hydroxyph...)
Show SMILES Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C30H34N2O3/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31/h6-15,20,33-34H,2-5,16-19,21H2,1H3
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n/an/a 3.17E+4n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of Fluormone-tagged ES2 from human recombinant ERalpha after 2 hrs by fluorescence polarization assay


Bioorg Med Chem 26: 266-277 (2018)


Article DOI: 10.1016/j.bmc.2017.11.040
BindingDB Entry DOI: 10.7270/Q2K64MNF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM50454053
PNG
(CHEMBL4203135)
Show SMILES O=C1CCC2=C1C(C1=C(CCC1=O)O2)c1cc2ccccc2n1Cc1ccccc1 |c:4,t:8|
Show InChI InChI=1S/C26H21NO3/c28-20-10-12-22-25(20)24(26-21(29)11-13-23(26)30-22)19-14-17-8-4-5-9-18(17)27(19)15-16-6-2-1-3-7-16/h1-9,14,24H,10-13,15H2
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n/an/a 5.12E+4n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of Fluormone-tagged ES2 from human recombinant ERalpha after 2 hrs by fluorescence polarization assay


Bioorg Med Chem 26: 266-277 (2018)


Article DOI: 10.1016/j.bmc.2017.11.040
BindingDB Entry DOI: 10.7270/Q2K64MNF
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50454050
PNG
(CHEMBL4209434)
Show SMILES CC1(C)CCC(=O)C2=C1OC1=C(C2c2cc3ccccc3n2Cc2ccccc2)C(=O)CCC1 |c:7,11|
Show InChI InChI=1S/C30H29NO3/c1-30(2)16-15-24(33)28-26(27-23(32)13-8-14-25(27)34-29(28)30)22-17-20-11-6-7-12-21(20)31(22)18-19-9-4-3-5-10-19/h3-7,9-12,17,26H,8,13-16,18H2,1-2H3
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n/an/a 5.50E+4n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of Fluormone-tagged ES2 from human recombinant ERalpha after 2 hrs by fluorescence polarization assay


Bioorg Med Chem 26: 266-277 (2018)


Article DOI: 10.1016/j.bmc.2017.11.040
BindingDB Entry DOI: 10.7270/Q2K64MNF
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50454057
PNG
(CHEMBL4218272)
Show SMILES CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2cc3ccccc3n2Cc2ccccc2)C(=O)CC(C)(C)C1 |c:6,11|
Show InChI InChI=1S/C32H33NO3/c1-31(2)15-24(34)29-26(17-31)36-27-18-32(3,4)16-25(35)30(27)28(29)23-14-21-12-8-9-13-22(21)33(23)19-20-10-6-5-7-11-20/h5-14,28H,15-19H2,1-4H3
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n/an/a 6.08E+4n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of Fluormone-tagged ES2 from human recombinant ERalpha after 2 hrs by fluorescence polarization assay


Bioorg Med Chem 26: 266-277 (2018)


Article DOI: 10.1016/j.bmc.2017.11.040
BindingDB Entry DOI: 10.7270/Q2K64MNF
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50454055
PNG
(CHEMBL4207948)
Show SMILES O=c1[nH]c2Oc3[nH]c(=O)[nH]c(=O)c3C(c3cc4ccccc4n3Cc3ccccc3)c2c(=O)[nH]1
Show InChI InChI=1S/C24H17N5O5/c30-19-17-16(18-20(31)26-24(33)28-22(18)34-21(17)27-23(32)25-19)15-10-13-8-4-5-9-14(13)29(15)11-12-6-2-1-3-7-12/h1-10,16H,11H2,(H2,25,27,30,32)(H2,26,28,31,33)
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n/an/a 6.11E+4n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of Fluormone-tagged ES2 from human recombinant ERalpha after 2 hrs by fluorescence polarization assay


Bioorg Med Chem 26: 266-277 (2018)


Article DOI: 10.1016/j.bmc.2017.11.040
BindingDB Entry DOI: 10.7270/Q2K64MNF
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50454056
PNG
(CHEMBL4215448)
Show SMILES CC1CC(=O)C2=C(C1)OC1=C(C2c2cc3ccccc3n2Cc2ccccc2)C(=O)CCC1(C)C |c:5,10|
Show InChI InChI=1S/C31H31NO3/c1-19-15-25(34)28-26(16-19)35-30-29(24(33)13-14-31(30,2)3)27(28)23-17-21-11-7-8-12-22(21)32(23)18-20-9-5-4-6-10-20/h4-12,17,19,27H,13-16,18H2,1-3H3
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n/an/a 3.56E+5n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of Fluormone-tagged ES2 from human recombinant ERalpha after 2 hrs by fluorescence polarization assay


Bioorg Med Chem 26: 266-277 (2018)


Article DOI: 10.1016/j.bmc.2017.11.040
BindingDB Entry DOI: 10.7270/Q2K64MNF
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50454052
PNG
(CHEMBL4206393)
Show SMILES CC1CC(=O)C2=C(C1)OC1=C(C2c2cc3ccccc3n2Cc2ccccc2)C(=O)CC(C)C1 |c:5,10|
Show InChI InChI=1S/C30H29NO3/c1-18-12-24(32)29-26(14-18)34-27-15-19(2)13-25(33)30(27)28(29)23-16-21-10-6-7-11-22(21)31(23)17-20-8-4-3-5-9-20/h3-11,16,18-19,28H,12-15,17H2,1-2H3
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n/an/a 4.82E+5n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of Fluormone-tagged ES2 from human recombinant ERalpha after 2 hrs by fluorescence polarization assay


Bioorg Med Chem 26: 266-277 (2018)


Article DOI: 10.1016/j.bmc.2017.11.040
BindingDB Entry DOI: 10.7270/Q2K64MNF
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50454054
PNG
(CHEMBL4218756)
Show SMILES CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2cc3ccccc3n2Cc2ccccc2)C(=O)CCC1(C)C |c:6,11|
Show InChI InChI=1S/C32H33NO3/c1-31(2)17-25(35)28-26(18-31)36-30-29(24(34)14-15-32(30,3)4)27(28)23-16-21-12-8-9-13-22(21)33(23)19-20-10-6-5-7-11-20/h5-13,16,27H,14-15,17-19H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.87E+5n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Displacement of Fluormone-tagged ES2 from human recombinant ERalpha after 2 hrs by fluorescence polarization assay


Bioorg Med Chem 26: 266-277 (2018)


Article DOI: 10.1016/j.bmc.2017.11.040
BindingDB Entry DOI: 10.7270/Q2K64MNF
More data for this
Ligand-Target Pair