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PubMed code 15996097

Compile data set for download or QSAR
Found 16 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
Insulin receptor


(Homo sapiens (human))
BDBM2580
PNG
(K252a | methyl (15R,16S,18S)-16-hydroxy-15-methyl-...)
Show SMILES COC(=O)[C@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18?,26-,27-/m1/s1
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n/an/a 210n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate.HTRF is based on the proximity of europium cryptate (donor fluorophore...


Biochemistry 44: 9430-40 (2005)


Article DOI: 10.1021/bi0500628
BindingDB Entry DOI: 10.7270/Q2BV7DV5
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM2580
PNG
(K252a | methyl (15R,16S,18S)-16-hydroxy-15-methyl-...)
Show SMILES COC(=O)[C@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18?,26-,27-/m1/s1
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n/an/a 470n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate.HTRF is based on the proximity of europium cryptate (donor fluorophore...


Biochemistry 44: 9430-40 (2005)


Article DOI: 10.1021/bi0500628
BindingDB Entry DOI: 10.7270/Q2BV7DV5
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM15015
PNG
(2-tert-Butyl 4-Ethyl 3-Ethyl-5-formyl-1H-pyrrole-2...)
Show SMILES CCOC(=O)c1c(CC)c([nH]c1C=O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C15H21NO5/c1-6-9-11(13(18)20-7-2)10(8-17)16-12(9)14(19)21-15(3,4)5/h8,16H,6-7H2,1-5H3
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n/an/a 490n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate.HTRF is based on the proximity of europium cryptate (donor fluorophore...


Biochemistry 44: 9430-40 (2005)


Article DOI: 10.1021/bi0500628
BindingDB Entry DOI: 10.7270/Q2BV7DV5
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM15012
PNG
(2,4-diethyl 3-ethyl-5-formyl-1H-pyrrole-2,4-dicarb...)
Show SMILES CCOC(=O)c1[nH]c(C=O)c(C(=O)OCC)c1CC
Show InChI InChI=1S/C13H17NO5/c1-4-8-10(12(16)18-5-2)9(7-15)14-11(8)13(17)19-6-3/h7,14H,4-6H2,1-3H3
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n/an/a 1.10E+3n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate.HTRF is based on the proximity of europium cryptate (donor fluorophore...


Biochemistry 44: 9430-40 (2005)


Article DOI: 10.1021/bi0500628
BindingDB Entry DOI: 10.7270/Q2BV7DV5
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM15015
PNG
(2-tert-Butyl 4-Ethyl 3-Ethyl-5-formyl-1H-pyrrole-2...)
Show SMILES CCOC(=O)c1c(CC)c([nH]c1C=O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C15H21NO5/c1-6-9-11(13(18)20-7-2)10(8-17)16-12(9)14(19)21-15(3,4)5/h8,16H,6-7H2,1-5H3
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n/an/a 2.00E+3n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate.HTRF is based on the proximity of europium cryptate (donor fluorophore...


Biochemistry 44: 9430-40 (2005)


Article DOI: 10.1021/bi0500628
BindingDB Entry DOI: 10.7270/Q2BV7DV5
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM15016
PNG
(Ethyl 5-[(tert-Butylamino)carbonyl]-4-ethyl-2-form...)
Show SMILES CCOC(=O)c1c(CC)c([nH]c1C=O)C(=O)NC(C)(C)C
Show InChI InChI=1S/C15H22N2O4/c1-6-9-11(14(20)21-7-2)10(8-18)16-12(9)13(19)17-15(3,4)5/h8,16H,6-7H2,1-5H3,(H,17,19)
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n/an/a 2.60E+3n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate.HTRF is based on the proximity of europium cryptate (donor fluorophore...


Biochemistry 44: 9430-40 (2005)


Article DOI: 10.1021/bi0500628
BindingDB Entry DOI: 10.7270/Q2BV7DV5
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM15011
PNG
(2,4-diethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicar...)
Show SMILES CCOC(=O)c1[nH]c(C=O)c(C(=O)OCC)c1C
Show InChI InChI=1S/C12H15NO5/c1-4-17-11(15)9-7(3)10(12(16)18-5-2)13-8(9)6-14/h6,13H,4-5H2,1-3H3
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n/an/a 2.70E+3n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate.HTRF is based on the proximity of europium cryptate (donor fluorophore...


Biochemistry 44: 9430-40 (2005)


Article DOI: 10.1021/bi0500628
BindingDB Entry DOI: 10.7270/Q2BV7DV5
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM15017
PNG
(2-tert-Butyl 4-Ethyl 3-Ethyl-5-formyl-1-methyl-1H-...)
Show SMILES CCOC(=O)c1c(CC)c(C(=O)OC(C)(C)C)n(C)c1C=O
Show InChI InChI=1S/C16H23NO5/c1-7-10-12(14(19)21-8-2)11(9-18)17(6)13(10)15(20)22-16(3,4)5/h9H,7-8H2,1-6H3
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n/an/a 4.30E+3n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate.HTRF is based on the proximity of europium cryptate (donor fluorophore...


Biochemistry 44: 9430-40 (2005)


Article DOI: 10.1021/bi0500628
BindingDB Entry DOI: 10.7270/Q2BV7DV5
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM15012
PNG
(2,4-diethyl 3-ethyl-5-formyl-1H-pyrrole-2,4-dicarb...)
Show SMILES CCOC(=O)c1[nH]c(C=O)c(C(=O)OCC)c1CC
Show InChI InChI=1S/C13H17NO5/c1-4-8-10(12(16)18-5-2)9(7-15)14-11(8)13(17)19-6-3/h7,14H,4-6H2,1-3H3
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n/an/a 5.40E+3n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate.HTRF is based on the proximity of europium cryptate (donor fluorophore...


Biochemistry 44: 9430-40 (2005)


Article DOI: 10.1021/bi0500628
BindingDB Entry DOI: 10.7270/Q2BV7DV5
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM15017
PNG
(2-tert-Butyl 4-Ethyl 3-Ethyl-5-formyl-1-methyl-1H-...)
Show SMILES CCOC(=O)c1c(CC)c(C(=O)OC(C)(C)C)n(C)c1C=O
Show InChI InChI=1S/C16H23NO5/c1-7-10-12(14(19)21-8-2)11(9-18)17(6)13(10)15(20)22-16(3,4)5/h9H,7-8H2,1-6H3
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n/an/a 1.20E+4n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate.HTRF is based on the proximity of europium cryptate (donor fluorophore...


Biochemistry 44: 9430-40 (2005)


Article DOI: 10.1021/bi0500628
BindingDB Entry DOI: 10.7270/Q2BV7DV5
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM15011
PNG
(2,4-diethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicar...)
Show SMILES CCOC(=O)c1[nH]c(C=O)c(C(=O)OCC)c1C
Show InChI InChI=1S/C12H15NO5/c1-4-17-11(15)9-7(3)10(12(16)18-5-2)13-8(9)6-14/h6,13H,4-5H2,1-3H3
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n/an/a 1.20E+4n/an/an/an/a7.422



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Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate.HTRF is based on the proximity of europium cryptate (donor fluorophore...


Biochemistry 44: 9430-40 (2005)


Article DOI: 10.1021/bi0500628
BindingDB Entry DOI: 10.7270/Q2BV7DV5
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM15016
PNG
(Ethyl 5-[(tert-Butylamino)carbonyl]-4-ethyl-2-form...)
Show SMILES CCOC(=O)c1c(CC)c([nH]c1C=O)C(=O)NC(C)(C)C
Show InChI InChI=1S/C15H22N2O4/c1-6-9-11(14(20)21-7-2)10(8-18)16-12(9)13(19)17-15(3,4)5/h8,16H,6-7H2,1-5H3,(H,17,19)
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Merck Research Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate.HTRF is based on the proximity of europium cryptate (donor fluorophore...


Biochemistry 44: 9430-40 (2005)


Article DOI: 10.1021/bi0500628
BindingDB Entry DOI: 10.7270/Q2BV7DV5
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM15014
PNG
(2-N,2-N,4-N,4-N-tetraethyl-5-formyl-3-methyl-1H-py...)
Show SMILES CCN(CC)C(=O)c1[nH]c(C=O)c(C(=O)N(CC)CC)c1C
Show InChI InChI=1S/C16H25N3O3/c1-6-18(7-2)15(21)13-11(5)14(17-12(13)10-20)16(22)19(8-3)9-4/h10,17H,6-9H2,1-5H3
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n/an/a>1.00E+5n/an/an/an/a7.422



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Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate.HTRF is based on the proximity of europium cryptate (donor fluorophore...


Biochemistry 44: 9430-40 (2005)


Article DOI: 10.1021/bi0500628
BindingDB Entry DOI: 10.7270/Q2BV7DV5
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM15013
PNG
(2,4-diethyl 5-(hydroxymethyl)-3-methyl-1H-pyrrole-...)
Show SMILES CCOC(=O)c1[nH]c(CO)c(C(=O)OCC)c1C
Show InChI InChI=1S/C12H17NO5/c1-4-17-11(15)9-7(3)10(12(16)18-5-2)13-8(9)6-14/h13-14H,4-6H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate.HTRF is based on the proximity of europium cryptate (donor fluorophore...


Biochemistry 44: 9430-40 (2005)


Article DOI: 10.1021/bi0500628
BindingDB Entry DOI: 10.7270/Q2BV7DV5
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM15013
PNG
(2,4-diethyl 5-(hydroxymethyl)-3-methyl-1H-pyrrole-...)
Show SMILES CCOC(=O)c1[nH]c(CO)c(C(=O)OCC)c1C
Show InChI InChI=1S/C12H17NO5/c1-4-17-11(15)9-7(3)10(12(16)18-5-2)13-8(9)6-14/h13-14H,4-6H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate.HTRF is based on the proximity of europium cryptate (donor fluorophore...


Biochemistry 44: 9430-40 (2005)


Article DOI: 10.1021/bi0500628
BindingDB Entry DOI: 10.7270/Q2BV7DV5
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM15014
PNG
(2-N,2-N,4-N,4-N-tetraethyl-5-formyl-3-methyl-1H-py...)
Show SMILES CCN(CC)C(=O)c1[nH]c(C=O)c(C(=O)N(CC)CC)c1C
Show InChI InChI=1S/C16H25N3O3/c1-6-18(7-2)15(21)13-11(5)14(17-12(13)10-20)16(22)19(8-3)9-4/h10,17H,6-9H2,1-5H3
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Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate.HTRF is based on the proximity of europium cryptate (donor fluorophore...


Biochemistry 44: 9430-40 (2005)


Article DOI: 10.1021/bi0500628
BindingDB Entry DOI: 10.7270/Q2BV7DV5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%