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PubMed code 22339127

Compile data set for download or QSAR
Found 14 hits of Enzyme Inhibition Constant Data   
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))		BDBM50383265
PNG
(CHEMBL2032368)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nnc2ccc(NC3CCCCC3)nn12
Show InChI InChI=1S/C18H18F3N5/c19-18(20,21)13-8-6-12(7-9-13)17-24-23-16-11-10-15(25-26(16)17)22-14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H,22,25)
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 11n/an/an/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim-1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate preincubated for 15 mins prior substrate addition measured after 45 mins by fluo...

J Med Chem 55: 2641-8 (2012)


Article DOI: 10.1021/jm2014698
BindingDB Entry DOI: 10.7270/Q2Q2418B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50383272
PNG
(CHEMBL2032375)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cncc(n1)-c1cccc(C=C2SC(O)=NC2=O)c1 |r,w:19.20,wU:4.7,wD:1.0,c:25,(23.62,-22.34,;23.63,-20.8,;24.96,-20.02,;24.96,-18.48,;23.62,-17.72,;22.29,-18.49,;22.29,-20.02,;23.62,-16.18,;22.28,-15.42,;20.95,-16.2,;19.61,-15.42,;19.61,-13.89,;20.95,-13.12,;22.28,-13.88,;20.95,-11.58,;19.61,-10.81,;19.61,-9.27,;20.94,-8.5,;22.28,-9.26,;23.61,-8.48,;24.94,-9.25,;24.92,-10.78,;26.38,-11.28,;26.84,-12.75,;27.3,-10.05,;26.42,-8.79,;26.91,-7.33,;22.28,-10.81,)|
Show InChI InChI=1S/C20H21N5O2S/c21-14-4-6-15(7-5-14)23-18-11-22-10-16(24-18)13-3-1-2-12(8-13)9-17-19(26)25-20(27)28-17/h1-3,8-11,14-15H,4-7,21H2,(H,23,24)(H,25,26,27)/t14-,15-
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n/an/a 0.470n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim-1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate preincubated for 15 mins prior substrate addition measured after 45 mins by fluo...

J Med Chem 55: 2641-8 (2012)


Article DOI: 10.1021/jm2014698
BindingDB Entry DOI: 10.7270/Q2Q2418B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM26626
PNG
((5Z)-5-{[3-(trifluoromethyl)phenyl]methylidene}-1,...)
Show SMILES OC1=NC(=O)C(S1)=Cc1cccc(c1)C(F)(F)F |w:7.8,t:1|
Show InChI InChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(16)15-10(17)18-8/h1-5H,(H,15,16,17)
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n/an/a 24n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim-1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate preincubated for 15 mins prior substrate addition measured after 45 mins by fluo...

J Med Chem 55: 2641-8 (2012)


Article DOI: 10.1021/jm2014698
BindingDB Entry DOI: 10.7270/Q2Q2418B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50209188
PNG
(6-(2-Hydroxy-phenyl)-2-oxo-4-phenyl-1,2-dihydro-py...)
Show SMILES Oc1ccccc1-c1cc(-c2ccccc2)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C18H12N2O2/c19-11-15-14(12-6-2-1-3-7-12)10-16(20-18(15)22)13-8-4-5-9-17(13)21/h1-10,21H,(H,20,22)
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n/an/a 50n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim-1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate preincubated for 15 mins prior substrate addition measured after 45 mins by fluo...

J Med Chem 55: 2641-8 (2012)


Article DOI: 10.1021/jm2014698
BindingDB Entry DOI: 10.7270/Q2Q2418B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM28394
PNG
((2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2...)
Show SMILES CN1CCCN(CC1)c1cncc(n1)-c1cccc(\C=C\C(O)=O)c1
Show InChI InChI=1S/C19H22N4O2/c1-22-8-3-9-23(11-10-22)18-14-20-13-17(21-18)16-5-2-4-15(12-16)6-7-19(24)25/h2,4-7,12-14H,3,8-11H2,1H3,(H,24,25)/b7-6+
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n/an/a 57n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim-1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate preincubated for 15 mins prior substrate addition measured after 45 mins by fluo...

J Med Chem 55: 2641-8 (2012)


Article DOI: 10.1021/jm2014698
BindingDB Entry DOI: 10.7270/Q2Q2418B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50383266
PNG
(CHEMBL2032369)
Show SMILES Nc1cncc(n1)-c1ccc2noc(-c3ccc(cc3)C(F)(F)F)c2c1
Show InChI InChI=1S/C18H11F3N4O/c19-18(20,21)12-4-1-10(2-5-12)17-13-7-11(3-6-14(13)25-26-17)15-8-23-9-16(22)24-15/h1-9H,(H2,22,24)
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n/an/a 91n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim-1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate preincubated for 15 mins prior substrate addition measured after 45 mins by fluo...

J Med Chem 55: 2641-8 (2012)


Article DOI: 10.1021/jm2014698
BindingDB Entry DOI: 10.7270/Q2Q2418B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM26670
PNG
(2,3-diphenyl-1H-indole-7-carboxylic acid | cid_500...)
Show SMILES OC(=O)c1cccc2c(c([nH]c12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H15NO2/c23-21(24)17-13-7-12-16-18(14-8-3-1-4-9-14)19(22-20(16)17)15-10-5-2-6-11-15/h1-13,22H,(H,23,24)
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n/an/a 550n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim-1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate preincubated for 15 mins prior substrate addition measured after 45 mins by fluo...

J Med Chem 55: 2641-8 (2012)


Article DOI: 10.1021/jm2014698
BindingDB Entry DOI: 10.7270/Q2Q2418B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50383267
PNG
(CHEMBL2032370)
Show SMILES O=C1C(C#N)C(=O)c2ccccc12
Show InChI InChI=1S/C10H5NO2/c11-5-8-9(12)6-3-1-2-4-7(6)10(8)13/h1-4,8H
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n/an/a 6.00E+3n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim-1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate preincubated for 15 mins prior substrate addition measured after 45 mins by fluo...

J Med Chem 55: 2641-8 (2012)


Article DOI: 10.1021/jm2014698
BindingDB Entry DOI: 10.7270/Q2Q2418B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50345232
PNG
(5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid |...)
Show SMILES COc1cc(Br)cc2cc(oc12)C(O)=O
Show InChI InChI=1S/C10H7BrO4/c1-14-7-4-6(11)2-5-3-8(10(12)13)15-9(5)7/h2-4H,1H3,(H,12,13)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim-1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate preincubated for 15 mins prior substrate addition measured after 45 mins by fluo...

J Med Chem 55: 2641-8 (2012)


Article DOI: 10.1021/jm2014698
BindingDB Entry DOI: 10.7270/Q2Q2418B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50345231
PNG
(5-bromo-1-benzofuran-2-carboxylic acid | 5-bromobe...)
Show SMILES OC(=O)c1cc2cc(Br)ccc2o1
Show InChI InChI=1S/C9H5BrO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim-1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate preincubated for 15 mins prior substrate addition measured after 45 mins by fluo...

J Med Chem 55: 2641-8 (2012)


Article DOI: 10.1021/jm2014698
BindingDB Entry DOI: 10.7270/Q2Q2418B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50383268
PNG
(CHEMBL2032371)
Show SMILES NC(=O)c1ccc2cccc(O)c2n1
Show InChI InChI=1S/C10H8N2O2/c11-10(14)7-5-4-6-2-1-3-8(13)9(6)12-7/h1-5,13H,(H2,11,14)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim-1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate preincubated for 15 mins prior substrate addition measured after 45 mins by fluo...

J Med Chem 55: 2641-8 (2012)


Article DOI: 10.1021/jm2014698
BindingDB Entry DOI: 10.7270/Q2Q2418B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50383269
PNG
(CHEMBL2032372)
Show SMILES Oc1cc(=O)oc2ccc(Br)cc12
Show InChI InChI=1S/C9H5BrO3/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4,11H
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n/an/a 1.70E+4n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim-1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate preincubated for 15 mins prior substrate addition measured after 45 mins by fluo...

J Med Chem 55: 2641-8 (2012)


Article DOI: 10.1021/jm2014698
BindingDB Entry DOI: 10.7270/Q2Q2418B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50383270
PNG
(CHEMBL2032373)
Show SMILES O=C(c1ccco1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C13H9NO2/c15-13(12-6-3-7-16-12)10-8-14-11-5-2-1-4-9(10)11/h1-8,14H
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n/an/a 2.80E+4n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim-1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate preincubated for 15 mins prior substrate addition measured after 45 mins by fluo...

J Med Chem 55: 2641-8 (2012)


Article DOI: 10.1021/jm2014698
BindingDB Entry DOI: 10.7270/Q2Q2418B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50383271
PNG
(CHEMBL2032374)
Show SMILES Oc1ccc(Cl)cc1-c1cc[nH]n1
Show InChI InChI=1S/C9H7ClN2O/c10-6-1-2-9(13)7(5-6)8-3-4-11-12-8/h1-5,13H,(H,11,12)
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n/an/a 3.70E+4n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim-1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate preincubated for 15 mins prior substrate addition measured after 45 mins by fluo...

J Med Chem 55: 2641-8 (2012)


Article DOI: 10.1021/jm2014698
BindingDB Entry DOI: 10.7270/Q2Q2418B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%