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Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'sluka' and Initial = 'jp'   
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 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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PubMed
n/an/a 0.0100n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of estrogen-stimulated MCF-7 cell proliferation


Bioorg Med Chem Lett 9: 523-8 (1999)


BindingDB Entry DOI: 10.7270/Q22Z17R1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))
BDBM19441
PNG
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
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n/an/a 0.200n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of estrogen-stimulated MCF-7 cell proliferation


Bioorg Med Chem Lett 9: 523-8 (1999)


BindingDB Entry DOI: 10.7270/Q22Z17R1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50217393
PNG
(CHEMBL150735)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(SCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO3S2/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
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n/an/a 0.900n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of estrogen-stimulated MCF-7 cell proliferation


Bioorg Med Chem Lett 9: 523-8 (1999)


BindingDB Entry DOI: 10.7270/Q22Z17R1
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50217396
PNG
(CHEMBL150492)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(NCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H28N2O3S/c31-22-10-6-20(7-11-22)28-26(24-13-12-23(32)18-25(24)34-28)27(33)19-4-8-21(9-5-19)29-14-17-30-15-2-1-3-16-30/h4-13,18,29,31-32H,1-3,14-17H2
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n/an/a 2n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of estrogen-stimulated MCF-7 cell proliferation


Bioorg Med Chem Lett 9: 523-8 (1999)


BindingDB Entry DOI: 10.7270/Q22Z17R1
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50217395
PNG
(CHEMBL150970)
Show SMILES CN(CCN1CCCCC1)c1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1
Show InChI InChI=1S/C29H30N2O3S/c1-30(17-18-31-15-3-2-4-16-31)22-9-5-20(6-10-22)28(34)27-25-14-13-24(33)19-26(25)35-29(27)21-7-11-23(32)12-8-21/h5-14,19,32-33H,2-4,15-18H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of estrogen-stimulated MCF-7 cell proliferation


Bioorg Med Chem Lett 9: 523-8 (1999)


BindingDB Entry DOI: 10.7270/Q22Z17R1
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50217397
PNG
(CHEMBL151318)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(CCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H29NO3S/c31-23-12-10-22(11-13-23)29-27(25-15-14-24(32)19-26(25)34-29)28(33)21-8-6-20(7-9-21)5-4-18-30-16-2-1-3-17-30/h6-15,19,31-32H,1-5,16-18H2
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n/an/a 10n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of estrogen-stimulated MCF-7 cell proliferation


Bioorg Med Chem Lett 9: 523-8 (1999)


BindingDB Entry DOI: 10.7270/Q22Z17R1
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50217394
PNG
(CHEMBL423035)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(cc1)S(=O)(=O)CCN1CCCCC1
Show InChI InChI=1S/C28H27NO5S2/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)35-28)27(32)19-6-11-23(12-7-19)36(33,34)17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
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n/an/a 30n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of estrogen-stimulated MCF-7 cell proliferation


Bioorg Med Chem Lett 9: 523-8 (1999)


BindingDB Entry DOI: 10.7270/Q22Z17R1
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294038
PNG
(CHEMBL116734 | LY-329146 | N-(4-(6-hydroxy-3-(4-(2...)
Show SMILES CS(=O)(=O)N(c1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C30H32N2O7S3/c1-41(35,36)32(42(2,37)38)23-10-6-22(7-11-23)30-28(26-15-12-24(33)20-27(26)40-30)29(34)21-8-13-25(14-9-21)39-19-18-31-16-4-3-5-17-31/h6-15,20,33H,3-5,16-19H2,1-2H3
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n/an/a 800n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of LTC4 uptake (LTC4: 0.5 uM) in membrane vesicles from HL60/ADR cells


Bioorg Med Chem Lett 9: 3381-6 (2000)


BindingDB Entry DOI: 10.7270/Q2Z03996
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50217398
PNG
(CHEMBL151400)
Show SMILES COc1ccc(cc1)-c1sc2cc(OC)ccc2c1C(=O)c1ccc(CCCN2CCCCC2)cc1
Show InChI InChI=1S/C31H33NO3S/c1-34-25-14-12-24(13-15-25)31-29(27-17-16-26(35-2)21-28(27)36-31)30(33)23-10-8-22(9-11-23)7-6-20-32-18-4-3-5-19-32/h8-17,21H,3-7,18-20H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of estrogen-stimulated MCF-7 cell proliferation


Bioorg Med Chem Lett 9: 523-8 (1999)


BindingDB Entry DOI: 10.7270/Q22Z17R1
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50217399
PNG
(CHEMBL146765)
Show SMILES COc1ccc(cc1)-c1sc2cc(OC)ccc2c1C(=O)c1ccc(cc1)S(=O)(=O)CCN1CCCCC1
Show InChI InChI=1S/C30H31NO5S2/c1-35-23-10-6-22(7-11-23)30-28(26-15-12-24(36-2)20-27(26)37-30)29(32)21-8-13-25(14-9-21)38(33,34)19-18-31-16-4-3-5-17-31/h6-15,20H,3-5,16-19H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of estrogen-stimulated MCF-7 cell proliferation


Bioorg Med Chem Lett 9: 523-8 (1999)


BindingDB Entry DOI: 10.7270/Q22Z17R1
More data for this
Ligand-Target Pair