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Compile Data Set for Download or QSAR

Found 22 hits with Last Name = 'slocum' and Initial = 'c'   
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
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 7n/an/an/an/an/an/a



Radius Health, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor by fluorescence binding assay


Bioorg Med Chem Lett 20: 7516-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.140
BindingDB Entry DOI: 10.7270/Q2FJ2HR0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Homo sapiens (Human))
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r|
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Radius Health, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor by fluorescence binding assay


Bioorg Med Chem Lett 20: 7516-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.140
BindingDB Entry DOI: 10.7270/Q2FJ2HR0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Homo sapiens (Human))
BDBM50331713
PNG
(5,7-dichloro-3-(trifluoromethyl)-1,2,3,4-tetrahydr...)
Show SMILES OC1(CCc2c1[nH]c1c(Cl)cc(Cl)cc21)C(F)(F)F
Show InChI InChI=1S/C12H8Cl2F3NO/c13-5-3-7-6-1-2-11(19,12(15,16)17)10(6)18-9(7)8(14)4-5/h3-4,18-19H,1-2H2
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n/an/a 13n/an/an/an/an/an/a



Radius Health, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor by fluorescence binding assay


Bioorg Med Chem Lett 20: 7516-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.140
BindingDB Entry DOI: 10.7270/Q2FJ2HR0
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50331698
PNG
(5,6-dichloro-9H-carbazol-1-ol | CHEMBL1288959)
Show SMILES Oc1cccc2c1[nH]c1ccc(Cl)c(Cl)c21
Show InChI InChI=1S/C12H7Cl2NO/c13-7-4-5-8-10(11(7)14)6-2-1-3-9(16)12(6)15-8/h1-5,15-16H
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n/an/a 15n/an/an/an/an/an/a



Radius Health, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor by fluorescence binding assay


Bioorg Med Chem Lett 20: 7516-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.140
BindingDB Entry DOI: 10.7270/Q2FJ2HR0
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50331708
PNG
(6,7-dichloro-1-(trifluoromethyl)-2,3,4,9-tetrahydr...)
Show SMILES OC1(CCCc2c1[nH]c1cc(Cl)c(Cl)cc21)C(F)(F)F
Show InChI InChI=1S/C13H10Cl2F3NO/c14-8-4-7-6-2-1-3-12(20,13(16,17)18)11(6)19-10(7)5-9(8)15/h4-5,19-20H,1-3H2
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n/an/a 27n/an/an/an/an/an/a



Radius Health, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor by fluorescence binding assay


Bioorg Med Chem Lett 20: 7516-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.140
BindingDB Entry DOI: 10.7270/Q2FJ2HR0
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM8885
PNG
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18|
Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Radius Health, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor by fluorescence binding assay


Bioorg Med Chem Lett 20: 7516-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.140
BindingDB Entry DOI: 10.7270/Q2FJ2HR0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Homo sapiens (Human))
BDBM50331697
PNG
(2-bromo-6,7-dichloro-9H-carbazol-1-ol | CHEMBL1288...)
Show SMILES Oc1c(Br)ccc2c1[nH]c1cc(Cl)c(Cl)cc21
Show InChI InChI=1S/C12H6BrCl2NO/c13-7-2-1-5-6-3-8(14)9(15)4-10(6)16-11(5)12(7)17/h1-4,16-17H
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n/an/a 34n/an/an/an/an/an/a



Radius Health, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor by fluorescence binding assay


Bioorg Med Chem Lett 20: 7516-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.140
BindingDB Entry DOI: 10.7270/Q2FJ2HR0
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50331710
PNG
(6,7-dichloro-1-(perfluoroethyl)-2,3,4,9-tetrahydro...)
Show SMILES OC1(CCCc2c1[nH]c1cc(Cl)c(Cl)cc21)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C14H10Cl2F5NO/c15-8-4-7-6-2-1-3-12(23,13(17,18)14(19,20)21)11(6)22-10(7)5-9(8)16/h4-5,22-23H,1-3H2
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n/an/a 34n/an/an/an/an/an/a



Radius Health, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor by fluorescence binding assay


Bioorg Med Chem Lett 20: 7516-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.140
BindingDB Entry DOI: 10.7270/Q2FJ2HR0
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50331701
PNG
(6,8-dichloro-1-(trifluoromethyl)-2,3,4,9-tetrahydr...)
Show SMILES OC1(CCCc2c1[nH]c1c(Cl)cc(Cl)cc21)C(F)(F)F
Show InChI InChI=1S/C13H10Cl2F3NO/c14-6-4-8-7-2-1-3-12(20,13(16,17)18)11(7)19-10(8)9(15)5-6/h4-5,19-20H,1-3H2
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n/an/a 34n/an/an/an/an/an/a



Radius Health, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor by fluorescence binding assay


Bioorg Med Chem Lett 20: 7516-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.140
BindingDB Entry DOI: 10.7270/Q2FJ2HR0
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50331702
PNG
(5,8-dichloro-1-(trifluoromethyl)-2,3,4,9-tetrahydr...)
Show SMILES OC1(CCCc2c1[nH]c1c(Cl)ccc(Cl)c21)C(F)(F)F
Show InChI InChI=1S/C13H10Cl2F3NO/c14-7-3-4-8(15)10-9(7)6-2-1-5-12(20,11(6)19-10)13(16,17)18/h3-4,19-20H,1-2,5H2
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n/an/a 85n/an/an/an/an/an/a



Radius Health, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor by fluorescence binding assay


Bioorg Med Chem Lett 20: 7516-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.140
BindingDB Entry DOI: 10.7270/Q2FJ2HR0
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50331704
PNG
(8-chloro-6-fluoro-1-(trifluoromethyl)-2,3,4,9-tetr...)
Show SMILES OC1(CCCc2c1[nH]c1c(Cl)cc(F)cc21)C(F)(F)F
Show InChI InChI=1S/C13H10ClF4NO/c14-9-5-6(15)4-8-7-2-1-3-12(20,13(16,17)18)11(7)19-10(8)9/h4-5,19-20H,1-3H2
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n/an/a 90n/an/an/an/an/an/a



Radius Health, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor by fluorescence binding assay


Bioorg Med Chem Lett 20: 7516-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.140
BindingDB Entry DOI: 10.7270/Q2FJ2HR0
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50331709
PNG
(5,6-dichloro-1-(trifluoromethyl)-2,3,4,9-tetrahydr...)
Show SMILES OC1(CCCc2c1[nH]c1ccc(Cl)c(Cl)c21)C(F)(F)F
Show InChI InChI=1S/C13H10Cl2F3NO/c14-7-3-4-8-9(10(7)15)6-2-1-5-12(20,11(6)19-8)13(16,17)18/h3-4,19-20H,1-2,5H2
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n/an/a 95n/an/an/an/an/an/a



Radius Health, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor by fluorescence binding assay


Bioorg Med Chem Lett 20: 7516-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.140
BindingDB Entry DOI: 10.7270/Q2FJ2HR0
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50331712
PNG
(6,8-dichloro-2,2-difluoro-1-(trifluoromethyl)-2,3,...)
Show SMILES OC1(c2[nH]c3c(Cl)cc(Cl)cc3c2CCC1(F)F)C(F)(F)F
Show InChI InChI=1S/C13H8Cl2F5NO/c14-5-3-7-6-1-2-11(16,17)12(22,13(18,19)20)10(6)21-9(7)8(15)4-5/h3-4,21-22H,1-2H2
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n/an/a 100n/an/an/an/an/an/a



Radius Health, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor by fluorescence binding assay


Bioorg Med Chem Lett 20: 7516-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.140
BindingDB Entry DOI: 10.7270/Q2FJ2HR0
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50331707
PNG
(1-hydroxy-1-(trifluoromethyl)-2,3,4,9-tetrahydro-1...)
Show SMILES OC1(CCCc2c1[nH]c1ccc(cc21)C#N)C(F)(F)F
Show InChI InChI=1S/C14H11F3N2O/c15-14(16,17)13(20)5-1-2-9-10-6-8(7-18)3-4-11(10)19-12(9)13/h3-4,6,19-20H,1-2,5H2
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n/an/a 480n/an/an/an/an/an/a



Radius Health, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor by fluorescence binding assay


Bioorg Med Chem Lett 20: 7516-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.140
BindingDB Entry DOI: 10.7270/Q2FJ2HR0
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50331703
PNG
(2,4-dichloro-6-(trifluoromethyl)-5,6,7,8,9,10-hexa...)
Show SMILES OC1(CCCCc2c1[nH]c1c(Cl)cc(Cl)cc21)C(F)(F)F
Show InChI InChI=1S/C14H12Cl2F3NO/c15-7-5-9-8-3-1-2-4-13(21,14(17,18)19)12(8)20-11(9)10(16)6-7/h5-6,20-21H,1-4H2
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n/an/a 600n/an/an/an/an/an/a



Radius Health, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor by fluorescence binding assay


Bioorg Med Chem Lett 20: 7516-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.140
BindingDB Entry DOI: 10.7270/Q2FJ2HR0
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50331700
PNG
(2-benzyl-5,6-dichloro-9H-carbazol-1-ol | CHEMBL129...)
Show SMILES Oc1c(Cc2ccccc2)ccc2c1[nH]c1ccc(Cl)c(Cl)c21
Show InChI InChI=1S/C19H13Cl2NO/c20-14-8-9-15-16(17(14)21)13-7-6-12(19(23)18(13)22-15)10-11-4-2-1-3-5-11/h1-9,22-23H,10H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Radius Health, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor by fluorescence binding assay


Bioorg Med Chem Lett 20: 7516-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.140
BindingDB Entry DOI: 10.7270/Q2FJ2HR0
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50331699
PNG
(2-benzyl-6,7-dichloro-9H-carbazol-1-ol | CHEMBL129...)
Show SMILES Oc1c(Cc2ccccc2)ccc2c1[nH]c1cc(Cl)c(Cl)cc21
Show InChI InChI=1S/C19H13Cl2NO/c20-15-9-14-13-7-6-12(8-11-4-2-1-3-5-11)19(23)18(13)22-17(14)10-16(15)21/h1-7,9-10,22-23H,8H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Radius Health, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor by fluorescence binding assay


Bioorg Med Chem Lett 20: 7516-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.140
BindingDB Entry DOI: 10.7270/Q2FJ2HR0
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50331695
PNG
(6-bromo-9H-carbazol-1-ol | CHEMBL1288956)
Show SMILES Oc1cccc2c3cc(Br)ccc3[nH]c12
Show InChI InChI=1S/C12H8BrNO/c13-7-4-5-10-9(6-7)8-2-1-3-11(15)12(8)14-10/h1-6,14-15H
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n/an/a 1.42E+3n/an/an/an/an/an/a



Radius Health, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor by fluorescence binding assay


Bioorg Med Chem Lett 20: 7516-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.140
BindingDB Entry DOI: 10.7270/Q2FJ2HR0
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50331696
PNG
(8-hydroxy-9H-carbazole-3-carbonitrile | CHEMBL1288...)
Show SMILES Oc1cccc2c3cc(ccc3[nH]c12)C#N
Show InChI InChI=1S/C13H8N2O/c14-7-8-4-5-11-10(6-8)9-2-1-3-12(16)13(9)15-11/h1-6,15-16H
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n/an/a 4.60E+3n/an/an/an/an/an/a



Radius Health, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor by fluorescence binding assay


Bioorg Med Chem Lett 20: 7516-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.140
BindingDB Entry DOI: 10.7270/Q2FJ2HR0
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50331706
PNG
(1-hydroxy-1-methyl-2,3,4,9-tetrahydro-1H-carbazole...)
Show SMILES CC1(O)CCCc2c1[nH]c1ccc(cc21)C#N
Show InChI InChI=1S/C14H14N2O/c1-14(17)6-2-3-10-11-7-9(8-15)4-5-12(11)16-13(10)14/h4-5,7,16-17H,2-3,6H2,1H3
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n/an/a 9.20E+3n/an/an/an/an/an/a



Radius Health, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor by fluorescence binding assay


Bioorg Med Chem Lett 20: 7516-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.140
BindingDB Entry DOI: 10.7270/Q2FJ2HR0
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50331711
PNG
(1-hydroxy-1-(perfluoroethyl)-2,3,4,9-tetrahydro-1H...)
Show SMILES OC1(CCCc2c1[nH]c1ccc(cc21)C#N)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C15H11F5N2O/c16-14(17,15(18,19)20)13(23)5-1-2-9-10-6-8(7-21)3-4-11(10)22-12(9)13/h3-4,6,22-23H,1-2,5H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Radius Health, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor by fluorescence binding assay


Bioorg Med Chem Lett 20: 7516-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.140
BindingDB Entry DOI: 10.7270/Q2FJ2HR0
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50331705
PNG
(6,7-dichloro-1-methyl-2,3,4,9-tetrahydro-1H-carbaz...)
Show SMILES CC1(O)CCCc2c1[nH]c1cc(Cl)c(Cl)cc21
Show InChI InChI=1S/C13H13Cl2NO/c1-13(17)4-2-3-7-8-5-9(14)10(15)6-11(8)16-12(7)13/h5-6,16-17H,2-4H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Radius Health, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor by fluorescence binding assay


Bioorg Med Chem Lett 20: 7516-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.140
BindingDB Entry DOI: 10.7270/Q2FJ2HR0
More data for this
Ligand-Target Pair