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Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50047551   
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
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Pim1


Bioorg Med Chem Lett 26: 3187-91 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.079
BindingDB Entry DOI: 10.7270/Q2FQ9ZJ2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50174537
PNG
(CHEMBL3098770)
Show SMILES CC(=O)Oc1ccc(O)c2C(=O)C=CC(=O)c12 |c:12|
Show InChI InChI=1S/C12H8O5/c1-6(13)17-10-5-4-8(15)11-7(14)2-3-9(16)12(10)11/h2-5,15H,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Pim1


Bioorg Med Chem Lett 26: 3187-91 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.079
BindingDB Entry DOI: 10.7270/Q2FQ9ZJ2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50174534
PNG
(CHEMBL3808695)
Show SMILES CC(C)(C)OC1CC(O)CC2C1C(=O)c1c(O)ccc(O)c1C2=O
Show InChI InChI=1S/C18H22O6/c1-18(2,3)24-12-7-8(19)6-9-13(12)17(23)15-11(21)5-4-10(20)14(15)16(9)22/h4-5,8-9,12-13,19-21H,6-7H2,1-3H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Pim1


Bioorg Med Chem Lett 26: 3187-91 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.079
BindingDB Entry DOI: 10.7270/Q2FQ9ZJ2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50174536
PNG
(CHEMBL3808533)
Show SMILES CC(C)C(C)OC1CC(=O)CC2C1C(=O)c1c(O)ccc(O)c1C2=O
Show InChI InChI=1S/C19H22O6/c1-8(2)9(3)25-14-7-10(20)6-11-15(14)19(24)17-13(22)5-4-12(21)16(17)18(11)23/h4-5,8-9,11,14-15,21-22H,6-7H2,1-3H3
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n/an/a 3.60E+3n/an/an/an/an/an/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Pim1


Bioorg Med Chem Lett 26: 3187-91 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.079
BindingDB Entry DOI: 10.7270/Q2FQ9ZJ2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50174540
PNG
(CHEMBL1699836)
Show SMILES OCC1=C(CO)C(=O)c2c(O)ccc(O)c2C1=O |c:2|
Show InChI InChI=1S/C12H10O6/c13-3-5-6(4-14)12(18)10-8(16)2-1-7(15)9(10)11(5)17/h1-2,13-16H,3-4H2
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n/an/a 7.40E+3n/an/an/an/an/an/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Pim1


Bioorg Med Chem Lett 26: 3187-91 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.079
BindingDB Entry DOI: 10.7270/Q2FQ9ZJ2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50363477
PNG
(CHEMBL1944921)
Show SMILES COc1cccc2C(=O)c3c(O)ccc(O)c3C(=O)c12
Show InChI InChI=1S/C15H10O5/c1-20-10-4-2-3-7-11(10)15(19)13-9(17)6-5-8(16)12(13)14(7)18/h2-6,16-17H,1H3
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n/an/a 1.16E+4n/an/an/an/an/an/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Pim1


Bioorg Med Chem Lett 26: 3187-91 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.079
BindingDB Entry DOI: 10.7270/Q2FQ9ZJ2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50174539
PNG
(CHEMBL1987813)
Show SMILES O[C@H]1CC2=C([C@@H](O)[C@H]1O)C(=O)c1c(O)ccc(O)c1C2=O |c:3|
Show InChI InChI=1S/C14H12O7/c15-5-1-2-6(16)10-9(5)11(18)4-3-7(17)12(19)14(21)8(4)13(10)20/h1-2,7,12,14-17,19,21H,3H2/t7-,12-,14+/m0/s1
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n/an/a 1.92E+4n/an/an/an/an/an/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Pim1


Bioorg Med Chem Lett 26: 3187-91 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.079
BindingDB Entry DOI: 10.7270/Q2FQ9ZJ2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50174550
PNG
(CHEMBL1973073)
Show SMILES COc1c(O)c(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1O
Show InChI InChI=1S/C16H12O7/c1-5-3-6-8(7(17)4-5)12(19)10-9(11(6)18)14(21)16(23-2)15(22)13(10)20/h3-4,17,20-22H,1-2H3
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n/an/a 2.14E+4n/an/an/an/an/an/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Pim1


Bioorg Med Chem Lett 26: 3187-91 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.079
BindingDB Entry DOI: 10.7270/Q2FQ9ZJ2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50174535
PNG
(CHEMBL3809141)
Show SMILES CC(C)(C)OC1CC(=O)CC2C1C(=O)c1c(O)cccc1C2=O
Show InChI InChI=1S/C18H20O5/c1-18(2,3)23-13-8-9(19)7-11-15(13)17(22)14-10(16(11)21)5-4-6-12(14)20/h4-6,11,13,15,20H,7-8H2,1-3H3
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n/an/a 2.38E+4n/an/an/an/an/an/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Pim1


Bioorg Med Chem Lett 26: 3187-91 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.079
BindingDB Entry DOI: 10.7270/Q2FQ9ZJ2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50174532
PNG
(CHEMBL3809938)
Show SMILES Oc1ccc(O)c2C(=O)C(CBr)=CC(=O)c12 |c:11|
Show InChI InChI=1S/C11H7BrO4/c12-4-5-3-8(15)9-6(13)1-2-7(14)10(9)11(5)16/h1-3,13-14H,4H2
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n/an/a 2.70E+4n/an/an/an/an/an/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Pim1


Bioorg Med Chem Lett 26: 3187-91 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.079
BindingDB Entry DOI: 10.7270/Q2FQ9ZJ2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50174533
PNG
(CHEMBL3809985)
Show SMILES Oc1cc(C=O)c(O)c2C(=O)C=CC(=O)c12 |c:11|
Show InChI InChI=1S/C11H6O5/c12-4-5-3-8(15)9-6(13)1-2-7(14)10(9)11(5)16/h1-4,15-16H
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PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Pim1


Bioorg Med Chem Lett 26: 3187-91 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.079
BindingDB Entry DOI: 10.7270/Q2FQ9ZJ2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50107009
PNG
(5-Hydroxy-7-methyl-[1,4]naphthoquinone | 5-hydroxy...)
Show SMILES Cc1cc(O)c2C(=O)C=CC(=O)c2c1 |c:8|
Show InChI InChI=1S/C11H8O3/c1-6-4-7-8(12)2-3-9(13)11(7)10(14)5-6/h2-5,14H,1H3
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PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Pim1


Bioorg Med Chem Lett 26: 3187-91 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.079
BindingDB Entry DOI: 10.7270/Q2FQ9ZJ2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50174538
PNG
(CHEMBL3810033)
Show SMILES Oc1ccc(O)c2c(O)c3c(O)ccc(O)c3c(O)c12
Show InChI InChI=1S/C14H10O6/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,15-20H
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PubMed
n/an/a 5.71E+4n/an/an/an/an/an/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Pim1


Bioorg Med Chem Lett 26: 3187-91 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.079
BindingDB Entry DOI: 10.7270/Q2FQ9ZJ2
More data for this
Ligand-Target Pair