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Compile Data Set for Download or QSAR

Found 13 hits of ec50 data for polymerid = 1268,20,7767,8031,8122,8648,8963,9215,9219,9609,9732   
Target
(Institution)
LigandTarget
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


(Homo sapiens (Human))
BDBM50364793
PNG
(CHEMBL1952113)
Show SMILES FC(F)(F)Oc1cccc(c1)-n1nnc2ccc(NCC3CCNCC3)nc12
Show InChI InChI=1S/C18H19F3N6O/c19-18(20,21)28-14-3-1-2-13(10-14)27-17-15(25-26-27)4-5-16(24-17)23-11-12-6-8-22-9-7-12/h1-5,10,12,22H,6-9,11H2,(H,23,24)
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n/an/an/an/a 45n/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 expressed in H1299 cells assessed as inhibition of BAD phosphorylation at S112 in absense of serum


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50364778
PNG
(CHEMBL1952143)
Show SMILES COc1cc(NCC2CCNCC2)nc2n(nnc12)-c1cccc(c1)N(C)C
Show InChI InChI=1S/C20H27N7O/c1-26(2)15-5-4-6-16(11-15)27-20-19(24-25-27)17(28-3)12-18(23-20)22-13-14-7-9-21-10-8-14/h4-6,11-12,14,21H,7-10,13H2,1-3H3,(H,22,23)
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n/an/an/an/a 48n/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 expressed in H1299 cells assessed as inhibition of BAD phosphorylation at S112 in absense of serum


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50364777
PNG
(CHEMBL1952142)
Show SMILES COc1cc(NCC2CCNCC2)nc2n(nnc12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C19H21F3N6O2/c1-29-15-10-16(24-11-12-5-7-23-8-6-12)25-18-17(15)26-27-28(18)13-3-2-4-14(9-13)30-19(20,21)22/h2-4,9-10,12,23H,5-8,11H2,1H3,(H,24,25)
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n/an/an/an/a 70n/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 expressed in H1299 cells assessed as inhibition of BAD phosphorylation at S112 in absense of serum


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50364773
PNG
(CHEMBL1952134)
Show SMILES CN(C)c1cccc(c1)-n1nnc2ccc(NCC3CCNCC3)nc12
Show InChI InChI=1S/C19H25N7/c1-25(2)15-4-3-5-16(12-15)26-19-17(23-24-26)6-7-18(22-19)21-13-14-8-10-20-11-9-14/h3-7,12,14,20H,8-11,13H2,1-2H3,(H,21,22)
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n/an/an/an/a 140n/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 expressed in H1299 cells assessed as inhibition of BAD phosphorylation at S112 in absense of serum


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50364776
PNG
(CHEMBL1952141 | CHEMBL1952329)
Show SMILES CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1
Show InChI InChI=1S/C20H22F3N5O/c1-27-9-7-14(8-10-27)12-24-18-5-6-19-25-13-17(28(19)26-18)15-3-2-4-16(11-15)29-20(21,22)23/h2-6,11,13-14H,7-10,12H2,1H3,(H,24,26)
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n/an/an/an/a 200n/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 expressed in H1299 cells assessed as inhibition of BAD phosphorylation at S112 in absense of serum


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50364775
PNG
(CHEMBL1952137)
Show SMILES FC(F)(F)c1cccc(c1)-n1nnc2ccc(NC3CC4(C3)CCNCC4)nc12
Show InChI InChI=1S/C20H21F3N6/c21-20(22,23)13-2-1-3-15(10-13)29-18-16(27-28-29)4-5-17(26-18)25-14-11-19(12-14)6-8-24-9-7-19/h1-5,10,14,24H,6-9,11-12H2,(H,25,26)
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n/an/an/an/a 380n/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 expressed in H1299 cells assessed as inhibition of BAD phosphorylation at S112 in absense of serum


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50364794
PNG
(CHEMBL1952132)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccc2nnn(-c3cccc(OC(F)(F)F)c3)c2n1
Show InChI InChI=1S/C18H18F3N5O2/c19-18(20,21)28-14-3-1-2-12(10-14)26-17-15(24-25-26)8-9-16(23-17)22-11-4-6-13(27)7-5-11/h1-3,8-11,13,27H,4-7H2,(H,22,23)/t11-,13-
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n/an/an/an/a 405n/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 expressed in H1299 cells assessed as inhibition of BAD phosphorylation at S112 in absense of serum


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50364779
PNG
(CHEMBL1952144)
Show SMILES FC(F)(F)Oc1cccc(c1)-n1nnc2cc(Cl)c(NCC3CCNCC3)nc12
Show InChI InChI=1S/C18H18ClF3N6O/c19-14-9-15-17(25-16(14)24-10-11-4-6-23-7-5-11)28(27-26-15)12-2-1-3-13(8-12)29-18(20,21)22/h1-3,8-9,11,23H,4-7,10H2,(H,24,25)
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n/an/an/an/a 420n/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 expressed in H1299 cells assessed as inhibition of BAD phosphorylation at S112 in absense of serum


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50364772
PNG
(CHEMBL1952133)
Show SMILES O[C@H]1CC[C@H](CC1)Nc1ccc2nnn(-c3cccc(OC(F)(F)F)c3)c2n1
Show InChI InChI=1S/C18H18F3N5O2/c19-18(20,21)28-14-3-1-2-12(10-14)26-17-15(24-25-26)8-9-16(23-17)22-11-4-6-13(27)7-5-11/h1-3,8-11,13,27H,4-7H2,(H,22,23)/t11-,13+
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n/an/an/an/a 550n/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 expressed in H1299 cells assessed as inhibition of BAD phosphorylation at S112 in absense of serum


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50364812
PNG
(CHEMBL1952125)
Show SMILES FC(F)(F)Oc1cccc(c1)-n1nnc2ccc(NC3CC4(C3)CCNCC4)nc12
Show InChI InChI=1S/C20H21F3N6O/c21-20(22,23)30-15-3-1-2-14(10-15)29-18-16(27-28-29)4-5-17(26-18)25-13-11-19(12-13)6-8-24-9-7-19/h1-5,10,13,24H,6-9,11-12H2,(H,25,26)
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n/an/an/an/a 590n/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 expressed in H1299 cells assessed as inhibition of BAD phosphorylation at S112 in absense of serum


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50364811
PNG
(CHEMBL1952121)
Show SMILES FC(F)(F)Oc1cccc(c1)-n1nnc2ccc(NC3CCNCC3)nc12
Show InChI InChI=1S/C17H17F3N6O/c18-17(19,20)27-13-3-1-2-12(10-13)26-16-14(24-25-26)4-5-15(23-16)22-11-6-8-21-9-7-11/h1-5,10-11,21H,6-9H2,(H,22,23)
PDB
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PubMed
n/an/an/an/a 700n/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 expressed in H1299 cells assessed as inhibition of BAD phosphorylation at S112 in absense of serum


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50364813
PNG
(CHEMBL1952126)
Show SMILES FC(F)(F)Oc1cccc(c1)-n1nnc2ccc(NCC3CC4(C3)CCNCC4)nc12
Show InChI InChI=1S/C21H23F3N6O/c22-21(23,24)31-16-3-1-2-15(10-16)30-19-17(28-29-30)4-5-18(27-19)26-13-14-11-20(12-14)6-8-25-9-7-20/h1-5,10,14,25H,6-9,11-13H2,(H,26,27)
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PubMed
n/an/an/an/a 740n/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 expressed in H1299 cells assessed as inhibition of BAD phosphorylation at S112 in absense of serum


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50364774
PNG
(CHEMBL1952136)
Show SMILES FC(F)(F)c1cccc(c1)-n1nnc2ccc(NCC3CC4(C3)CCNCC4)nc12
Show InChI InChI=1S/C21H23F3N6/c22-21(23,24)15-2-1-3-16(10-15)30-19-17(28-29-30)4-5-18(27-19)26-13-14-11-20(12-14)6-8-25-9-7-20/h1-5,10,14,25H,6-9,11-13H2,(H,26,27)
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PubMed
n/an/an/an/a 810n/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 expressed in H1299 cells assessed as inhibition of BAD phosphorylation at S112 in absense of serum


Citation and Details
More data for this
Ligand-Target Pair