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Compile Data Set for Download or QSAR

Found 205 hits with Last Name = 'hanson' and Initial = 'am'   
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
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50200182
PNG
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r|
Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1
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n/an/a 0.0953n/an/an/an/an/an/a



Marquette University

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain fused VDR (unknown origin) ligand binding domain expressed in UAS-bla HEK 293T cells assessed as beta-lac...

Eur J Med Chem 157: 791-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.006
BindingDB Entry DOI: 10.7270/Q2K64MS7
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))		BDBM398047
PNG
(US10322118, Entry 5)
Show SMILES NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O
Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)
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n/an/a 0.103n/an/an/an/an/an/a



Marquette University

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain fused TRbeta receptor (unknown origin) ligand binding domain expressed in UAS-bla HEK 293T cells assessed...

Eur J Med Chem 157: 791-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.006
BindingDB Entry DOI: 10.7270/Q2K64MS7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 0.107n/an/an/an/an/an/a



Marquette University

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain fused ERalpha (unknown origin) ligand binding domain expressed in UAS-bla GripTite 293 cells assessed as ...

Eur J Med Chem 157: 791-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.006
BindingDB Entry DOI: 10.7270/Q2K64MS7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))		BDBM18660
PNG
((10S,11S,14S,15S)-14,15-dimethyl-14-propanoyltetra...)
Show SMILES [H][C@@]12CC[C@](C)(C(=O)CC)[C@@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@]21[H] |r,c:15,21|
Show InChI InChI=1S/C22H30O2/c1-4-20(24)22(3)12-10-19-18-7-5-14-13-15(23)6-8-16(14)17(18)9-11-21(19,22)2/h13,18-19H,4-12H2,1-3H3/t18-,19+,21+,22-/m1/s1
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n/an/a 0.236n/an/an/an/an/an/a



Marquette University

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain fused PR (unknown origin) ligand binding domain expressed in UAS-bla HEK 293T cells assessed as beta-lact...

Eur J Med Chem 157: 791-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.006
BindingDB Entry DOI: 10.7270/Q2K64MS7
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50367916
PNG
(METHYLTRIENOLONE | Metribolone | R-1881)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |r,c:16,19,t:9|
Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1
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n/an/a 0.302n/an/an/an/an/an/a



Marquette University

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain fused androgen receptor (unknown origin) ligand binding domain expressed in UAS-bla GripTite 293 cells as...

Eur J Med Chem 157: 791-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.006
BindingDB Entry DOI: 10.7270/Q2K64MS7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM19214
PNG
((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...)
Show SMILES [H][C@@]12CC[C@H](C(=O)CO)[C@]1(C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C)C=O |t:21|
Show InChI InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1
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n/an/a 0.305n/an/an/an/an/an/a



Marquette University

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain fused MR (unknown origin) ligand binding domain expressed in UAS-bla H cells assessed as beta-lactamase t...

Eur J Med Chem 157: 791-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.006
BindingDB Entry DOI: 10.7270/Q2K64MS7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 0.579n/an/an/an/an/an/a



Marquette University

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain fused ERbeta (unknown origin) ligand binding domain expressed in UAS-bla GripTite 293 cells assessed as b...

Eur J Med Chem 157: 791-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.006
BindingDB Entry DOI: 10.7270/Q2K64MS7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



Marquette University

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain fused GR (unknown origin) ligand binding domain expressed in UAS-bla HEK 293T cells assessed as beta-lact...

Eur J Med Chem 157: 791-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.006
BindingDB Entry DOI: 10.7270/Q2K64MS7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Agonist activity at human GST-tagged estrogen receptor alpha ligand binding domain assessed as coactivator peptide PGC1a recruitment by TR-FRET assay

J Med Chem 61: 4720-4738 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01601
BindingDB Entry DOI: 10.7270/Q2TH8R3Q
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Agonist activity at human GST-tagged estrogen receptor beta ligand binding domain assessed as coactivator peptide PGC1a recruitment by TR-FRET assay

J Med Chem 61: 4720-4738 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01601
BindingDB Entry DOI: 10.7270/Q2TH8R3Q
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50085041
PNG
(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Show SMILES CCCc1c(O)c(ccc1OCCCOc1ccc(OCC(O)=O)cc1)C(C)=O
Show InChI InChI=1S/C22H26O7/c1-3-5-19-20(11-10-18(15(2)23)22(19)26)28-13-4-12-27-16-6-8-17(9-7-16)29-14-21(24)25/h6-11,26H,3-5,12-14H2,1-2H3,(H,24,25)
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n/an/a 13n/an/an/an/an/an/a



Marquette University

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain fused PPARdelta receptor (unknown origin) ligand binding domain expressed in UAS-bla HEK 293T cells asses...

Eur J Med Chem 157: 791-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.006
BindingDB Entry DOI: 10.7270/Q2K64MS7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50517935
PNG
(CHEMBL4526434)
Show SMILES OC[C@H]1CC[C@@H](CC1)c1ccc(O)cc1 |r,wU:5.8,wD:2.1,(30.01,-26.44,;29.24,-27.77,;27.7,-27.77,;26.93,-26.43,;25.39,-26.43,;24.62,-27.76,;25.39,-29.1,;26.93,-29.1,;23.08,-27.76,;22.32,-26.42,;20.78,-26.42,;20.01,-27.76,;18.47,-27.76,;20.79,-29.09,;22.32,-29.09,)|
Show InChI InChI=1S/C13H18O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h5-8,10-11,14-15H,1-4,9H2/t10-,11-
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n/an/a 191n/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Agonist activity at human GST-tagged estrogen receptor beta ligand binding domain assessed as coactivator peptide PGC1a recruitment by TR-FRET assay

J Med Chem 61: 4720-4738 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01601
BindingDB Entry DOI: 10.7270/Q2TH8R3Q
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM61947
PNG
(6-bromanyl-2-phenyl-1,2-benzothiazol-3-one | 6-bro...)
Show SMILES Brc1ccc2c(c1)sn(-c1ccccc1)c2=O
Show InChI InChI=1S/C13H8BrNOS/c14-9-6-7-11-12(8-9)17-15(13(11)16)10-4-2-1-3-5-10/h1-8H
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n/an/a 700n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...

ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM34233
PNG
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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n/an/a 1.40E+3n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...

ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM61939
PNG
(5,6-bis(fluoranyl)-2-phenyl-1,2-benzothiazol-3-one...)
Show SMILES Fc1cc2sn(-c3ccccc3)c(=O)c2cc1F
Show InChI InChI=1S/C13H7F2NOS/c14-10-6-9-12(7-11(10)15)18-16(13(9)17)8-4-2-1-3-5-8/h1-7H
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n/an/a 1.50E+3n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...

ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM61966
PNG
(KSC-09-149B | KUC105615N | N-(2-chlorophenyl)-2-(3...)
Show SMILES Clc1ccccc1NC(=O)Cn1sc2ccccc2c1=O
Show InChI InChI=1S/C15H11ClN2O2S/c16-11-6-2-3-7-12(11)17-14(19)9-18-15(20)10-5-1-4-8-13(10)21-18/h1-8H,9H2,(H,17,19)
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n/an/a 1.90E+3n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...

ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM46667
PNG
(2-phenyl-1,2-benzothiazol-3-one | 2-phenyl-1,2-ben...)
Show SMILES O=c1n(sc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOS/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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n/an/a 1.90E+3n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...

ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM61969
PNG
(KSC-09-140B | KUC105618N | N-(2-bromophenyl)-2-(3-...)
Show SMILES Brc1ccccc1NC(=O)Cn1sc2ccccc2c1=O
Show InChI InChI=1S/C15H11BrN2O2S/c16-11-6-2-3-7-12(11)17-14(19)9-18-15(20)10-5-1-4-8-13(10)21-18/h1-8H,9H2,(H,17,19)
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n/an/a 2.00E+3n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...

ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50466088
PNG
(CHEMBL4293810)
Show SMILES OCC1CCCC(CC1)c1ccc(O)cc1
Show InChI InChI=1S/C14H20O2/c15-10-11-2-1-3-12(5-4-11)13-6-8-14(16)9-7-13/h6-9,11-12,15-16H,1-5,10H2
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n/an/a 2.70E+3n/an/an/an/an/an/a



Marquette University

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin) using luciferin-H as substrate preincubated for 10 mins followed by NADPH regeneration system addition and meas...

Eur J Med Chem 157: 791-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.006
BindingDB Entry DOI: 10.7270/Q2K64MS7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50517935
PNG
(CHEMBL4526434)
Show SMILES OC[C@H]1CC[C@@H](CC1)c1ccc(O)cc1 |r,wU:5.8,wD:2.1,(30.01,-26.44,;29.24,-27.77,;27.7,-27.77,;26.93,-26.43,;25.39,-26.43,;24.62,-27.76,;25.39,-29.1,;26.93,-29.1,;23.08,-27.76,;22.32,-26.42,;20.78,-26.42,;20.01,-27.76,;18.47,-27.76,;20.79,-29.09,;22.32,-29.09,)|
Show InChI InChI=1S/C13H18O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h5-8,10-11,14-15H,1-4,9H2/t10-,11-
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n/an/a 2.94E+3n/an/an/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Agonist activity at human GST-tagged estrogen receptor alpha ligand binding domain assessed as coactivator peptide PGC1a recruitment by TR-FRET assay

J Med Chem 61: 4720-4738 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01601
BindingDB Entry DOI: 10.7270/Q2TH8R3Q
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM61942
PNG
(2-(3-keto-1,2-benzothiazol-2-yl)-N-(o-tolyl)acetam...)
Show SMILES Cc1ccccc1NC(=O)Cn1sc2ccccc2c1=O
Show InChI InChI=1S/C16H14N2O2S/c1-11-6-2-4-8-13(11)17-15(19)10-18-16(20)12-7-3-5-9-14(12)21-18/h2-9H,10H2,1H3,(H,17,19)
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n/an/a 3.90E+3n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...

ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM61965
PNG
(KSC-09-149A | KUC105614N | N-(2-fluorophenyl)-2-(3...)
Show SMILES Fc1ccccc1NC(=O)Cn1sc2ccccc2c1=O
Show InChI InChI=1S/C15H11FN2O2S/c16-11-6-2-3-7-12(11)17-14(19)9-18-15(20)10-5-1-4-8-13(10)21-18/h1-8H,9H2,(H,17,19)
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n/an/a 5.60E+3n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...

ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM61942
PNG
(2-(3-keto-1,2-benzothiazol-2-yl)-N-(o-tolyl)acetam...)
Show SMILES Cc1ccccc1NC(=O)Cn1sc2ccccc2c1=O
Show InChI InChI=1S/C16H14N2O2S/c1-11-6-2-4-8-13(11)17-15(19)10-18-16(20)12-7-3-5-9-14(12)21-18/h2-9H,10H2,1H3,(H,17,19)
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n/an/a 5.60E+3n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...

ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM61964
PNG
(2-(3-keto-1,2-benzothiazol-2-yl)-N-phenyl-propiona...)
Show SMILES CC(C(=O)Nc1ccccc1)n1sc2ccccc2c1=O
Show InChI InChI=1S/C16H14N2O2S/c1-11(15(19)17-12-7-3-2-4-8-12)18-16(20)13-9-5-6-10-14(13)21-18/h2-11H,1H3,(H,17,19)
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n/an/a 6.30E+3n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...

ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM61970
PNG
(KSC-09-140C | KUC105619N | N-(2-iodanylphenyl)-2-(...)
Show SMILES Ic1ccccc1NC(=O)Cn1sc2ccccc2c1=O
Show InChI InChI=1S/C15H11IN2O2S/c16-11-6-2-3-7-12(11)17-14(19)9-18-15(20)10-5-1-4-8-13(10)21-18/h1-8H,9H2,(H,17,19)
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n/an/a 7.80E+3n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...

ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM61949
PNG
(KSC-4-295 | KUC105342N | N-(3-bromophenyl)-2-(3-ke...)
Show SMILES Brc1cccc(NC(=O)Cn2sc3ccccc3c2=O)c1
Show InChI InChI=1S/C15H11BrN2O2S/c16-10-4-3-5-11(8-10)17-14(19)9-18-15(20)12-6-1-2-7-13(12)21-18/h1-8H,9H2,(H,17,19)
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n/an/a 1.20E+4n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...

ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM61957
PNG
(3-(3-keto-1,2-benzothiazol-2-yl)-N-phenyl-propiona...)
Show SMILES O=C(CCn1sc2ccccc2c1=O)Nc1ccccc1
Show InChI InChI=1S/C16H14N2O2S/c19-15(17-12-6-2-1-3-7-12)10-11-18-16(20)13-8-4-5-9-14(13)21-18/h1-9H,10-11H2,(H,17,19)
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n/an/a 1.50E+4n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...

ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM123128
PNG
(1‐(4‐bromo‐2‐nitrophenyl)p...)
Show SMILES [O-][N+](=O)c1cc(Br)ccc1N1C(=O)C=CC1=O |c:14|
Show InChI InChI=1S/C10H5BrN2O4/c11-6-1-2-7(8(5-6)13(16)17)12-9(14)3-4-10(12)15/h1-5H
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n/an/a 2.20E+4n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...

ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM123129
PNG
(1-(3-nitro-phenyl)-pyrrole-2,5-dione (17) | CID236...)
Show SMILES [O-][N+](=O)c1cccc(c1)N1C(=O)C=CC1=O |c:13|
Show InChI InChI=1S/C10H6N2O4/c13-9-4-5-10(14)11(9)7-2-1-3-8(6-7)12(15)16/h1-6H
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n/an/a 2.30E+4n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...

ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM61961
PNG
(2-(3-keto-1,2-benzothiazol-2-yl)-N-[2-(trifluorome...)
Show SMILES FC(F)(F)c1ccccc1NC(=O)Cn1sc2ccccc2c1=O
Show InChI InChI=1S/C16H11F3N2O2S/c17-16(18,19)11-6-2-3-7-12(11)20-14(22)9-21-15(23)10-5-1-4-8-13(10)24-21/h1-8H,9H2,(H,20,22)
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n/an/a 2.80E+4n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...

ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50466088
PNG
(CHEMBL4293810)
Show SMILES OCC1CCCC(CC1)c1ccc(O)cc1
Show InChI InChI=1S/C14H20O2/c15-10-11-2-1-3-12(5-4-11)13-6-8-14(16)9-7-13/h6-9,11-12,15-16H,1-5,10H2
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n/an/a 3.30E+4n/an/an/an/an/an/a



Marquette University

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin) using luciferin-IPA as substrate preincubated for 10 mins followed by NADPH regeneration system addition and me...

Eur J Med Chem 157: 791-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.006
BindingDB Entry DOI: 10.7270/Q2K64MS7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM123130
PNG
(1-(2-bromo-4-methylphenyl)-1H-pyrrole-2,5-dione (1...)
Show SMILES Cc1ccc(N2C(=O)C=CC2=O)c(Br)c1 |c:8|
Show InChI InChI=1S/C11H8BrNO2/c1-7-2-3-9(8(12)6-7)13-10(14)4-5-11(13)15/h2-6H,1H3
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n/an/a 3.30E+4n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...

ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50466088
PNG
(CHEMBL4293810)
Show SMILES OCC1CCCC(CC1)c1ccc(O)cc1
Show InChI InChI=1S/C14H20O2/c15-10-11-2-1-3-12(5-4-11)13-6-8-14(16)9-7-13/h6-9,11-12,15-16H,1-5,10H2
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n/an/a 7.30E+4n/an/an/an/an/an/a



Marquette University

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin) using luciferin-ME EGE as substrate preincubated for 10 mins followed by NADPH regeneration system addition and...

Eur J Med Chem 157: 791-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.006
BindingDB Entry DOI: 10.7270/Q2K64MS7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50247587
PNG
(2,5-diphenylisothiazol-3(2H)-one | CHEMBL500224 | ...)
Show SMILES O=c1cc(sn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C15H11NOS/c17-15-11-14(12-7-3-1-4-8-12)18-16(15)13-9-5-2-6-10-13/h1-11H
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n/an/a>1.00E+5n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...

ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM61938
PNG
(1-methyl-2-phenyl-3-indazolone | 1-methyl-2-phenyl...)
Show SMILES Cn1n(-c2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C14H12N2O/c1-15-13-10-6-5-9-12(13)14(17)16(15)11-7-3-2-4-8-11/h2-10H,1H3
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n/an/a>1.00E+5n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...

ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50466088
PNG
(CHEMBL4293810)
Show SMILES OCC1CCCC(CC1)c1ccc(O)cc1
Show InChI InChI=1S/C14H20O2/c15-10-11-2-1-3-12(5-4-11)13-6-8-14(16)9-7-13/h6-9,11-12,15-16H,1-5,10H2
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n/an/a 1.30E+5n/an/an/an/an/an/a



Marquette University

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin) using luciferin-ME as substrate preincubated for 10 mins followed by NADPH regeneration system addition and mea...

Eur J Med Chem 157: 791-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.006
BindingDB Entry DOI: 10.7270/Q2K64MS7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50220832
PNG
(CHEMBL8211 | N-ethylmaleimide)
Show SMILES CCN1C(=O)C=CC1=O |c:5|
Show InChI InChI=1S/C6H7NO2/c1-2-7-5(8)3-4-6(7)9/h3-4H,2H2,1H3
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n/an/a 5.30E+5n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...

ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50376514
PNG
(IODOACETAMIDE)
Show SMILES NC(=O)CI
Show InChI InChI=1S/C2H4INO/c3-1-2(4)5/h1H2,(H2,4,5)
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n/an/a 2.00E+6n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...

ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50466084
PNG
(CHEMBL3099433)
Show SMILES OC[C@H]1CCC[C@H](CC1)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C14H20O2/c15-10-11-2-1-3-12(5-4-11)13-6-8-14(16)9-7-13/h6-9,11-12,15-16H,1-5,10H2/t11-,12+/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Marquette University

Curated by ChEMBL


Assay Description
Agonist activity at full length ERalpha (unknown origin) after 24 hrs by ERE-driven luciferase reporter gene assay

Eur J Med Chem 157: 791-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.006
BindingDB Entry DOI: 10.7270/Q2K64MS7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50466089
PNG
(CHEMBL4283229)
Show SMILES OC[C@H]1CCC[C@@H](CC1)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C14H20O2/c15-10-11-2-1-3-12(5-4-11)13-6-8-14(16)9-7-13/h6-9,11-12,15-16H,1-5,10H2/t11-,12-/m0/s1
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n/an/an/an/a>3.00E+3n/an/an/an/a



Marquette University

Curated by ChEMBL


Assay Description
Agonist activity at full length ERalpha (unknown origin) after 24 hrs by ERE-driven luciferase reporter gene assay

Eur J Med Chem 157: 791-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.006
BindingDB Entry DOI: 10.7270/Q2K64MS7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/an/an/a 0.310n/an/an/an/a



Marquette University

Curated by ChEMBL


Assay Description
Agonist activity at full length ERalpha (unknown origin) after 24 hrs by ERE-driven luciferase reporter gene assay

Eur J Med Chem 157: 791-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.006
BindingDB Entry DOI: 10.7270/Q2K64MS7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))		BDBM50466083
PNG
(CHEMBL4290786)
Show SMILES OC[C@@H]1CCC[C@@H](CC1)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C14H20O2/c15-10-11-2-1-3-12(5-4-11)13-6-8-14(16)9-7-13/h6-9,11-12,15-16H,1-5,10H2/t11-,12+/m1/s1
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n/an/an/an/a 199n/an/an/an/a



Marquette University

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-tagged estrogen binding to GST-tagged ERalpha (unknown origin) ligand binding domain after 1 hr by LanthaScreen TR-FRET ass...

Eur J Med Chem 157: 791-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.006
BindingDB Entry DOI: 10.7270/Q2K64MS7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50466089
PNG
(CHEMBL4283229)
Show SMILES OC[C@H]1CCC[C@@H](CC1)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C14H20O2/c15-10-11-2-1-3-12(5-4-11)13-6-8-14(16)9-7-13/h6-9,11-12,15-16H,1-5,10H2/t11-,12-/m0/s1
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n/an/an/an/a 96n/an/an/an/a



Marquette University

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-tagged estrogen binding to GST-tagged ERalpha (unknown origin) ligand binding domain after 1 hr by LanthaScreen TR-FRET ass...

Eur J Med Chem 157: 791-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.006
BindingDB Entry DOI: 10.7270/Q2K64MS7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50466088
PNG
(CHEMBL4293810)
Show SMILES OCC1CCCC(CC1)c1ccc(O)cc1
Show InChI InChI=1S/C14H20O2/c15-10-11-2-1-3-12(5-4-11)13-6-8-14(16)9-7-13/h6-9,11-12,15-16H,1-5,10H2
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n/an/an/an/a 99n/an/an/an/a



Marquette University

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-tagged estrogen binding to GST-tagged ERalpha (unknown origin) ligand binding domain after 1 hr by LanthaScreen TR-FRET ass...

Eur J Med Chem 157: 791-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.006
BindingDB Entry DOI: 10.7270/Q2K64MS7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/an/an/a 0.260n/an/an/an/a



Marquette University

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-tagged estrogen binding to GST-tagged ERalpha (unknown origin) ligand binding domain after 1 hr by LanthaScreen TR-FRET ass...

Eur J Med Chem 157: 791-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.006
BindingDB Entry DOI: 10.7270/Q2K64MS7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50466085
PNG
(CHEMBL4290019)
Show SMILES OCCC1CCCC(CC1)c1ccc(O)cc1
Show InChI InChI=1S/C15H22O2/c16-11-10-12-2-1-3-13(5-4-12)14-6-8-15(17)9-7-14/h6-9,12-13,16-17H,1-5,10-11H2
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n/an/an/an/a 75n/an/an/an/a



Marquette University

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-tagged estrogen binding to GST-tagged ERbeta (unknown origin) ligand binding domain after 1 hr by LanthaScreen TR-FRET assa...

Eur J Med Chem 157: 791-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.006
BindingDB Entry DOI: 10.7270/Q2K64MS7
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50466083
PNG
(CHEMBL4290786)
Show SMILES OC[C@@H]1CCC[C@@H](CC1)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C14H20O2/c15-10-11-2-1-3-12(5-4-11)13-6-8-14(16)9-7-13/h6-9,11-12,15-16H,1-5,10H2/t11-,12+/m1/s1
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n/an/an/an/a 66n/an/an/an/a



Marquette University

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-tagged estrogen binding to GST-tagged ERbeta (unknown origin) ligand binding domain after 1 hr by LanthaScreen TR-FRET assa...

Eur J Med Chem 157: 791-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.006
BindingDB Entry DOI: 10.7270/Q2K64MS7
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50466084
PNG
(CHEMBL3099433)
Show SMILES OC[C@H]1CCC[C@H](CC1)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C14H20O2/c15-10-11-2-1-3-12(5-4-11)13-6-8-14(16)9-7-13/h6-9,11-12,15-16H,1-5,10H2/t11-,12+/m0/s1
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n/an/an/an/a 99n/an/an/an/a



Marquette University

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-tagged estrogen binding to GST-tagged ERbeta (unknown origin) ligand binding domain after 1 hr by LanthaScreen TR-FRET assa...

Eur J Med Chem 157: 791-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.006
BindingDB Entry DOI: 10.7270/Q2K64MS7
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50466089
PNG
(CHEMBL4283229)
Show SMILES OC[C@H]1CCC[C@@H](CC1)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C14H20O2/c15-10-11-2-1-3-12(5-4-11)13-6-8-14(16)9-7-13/h6-9,11-12,15-16H,1-5,10H2/t11-,12-/m0/s1
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n/an/an/an/a 18n/an/an/an/a



Marquette University

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-tagged estrogen binding to GST-tagged ERbeta (unknown origin) ligand binding domain after 1 hr by LanthaScreen TR-FRET assa...

Eur J Med Chem 157: 791-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.006
BindingDB Entry DOI: 10.7270/Q2K64MS7
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50466088
PNG
(CHEMBL4293810)
Show SMILES OCC1CCCC(CC1)c1ccc(O)cc1
Show InChI InChI=1S/C14H20O2/c15-10-11-2-1-3-12(5-4-11)13-6-8-14(16)9-7-13/h6-9,11-12,15-16H,1-5,10H2
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n/an/an/an/a 53n/an/an/an/a



Marquette University

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-tagged estrogen binding to GST-tagged ERbeta (unknown origin) ligand binding domain after 1 hr by LanthaScreen TR-FRET assa...

Eur J Med Chem 157: 791-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.006
BindingDB Entry DOI: 10.7270/Q2K64MS7
More data for this
Ligand-Target Pair
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