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Compile Data Set for Download or QSAR

Found 10 hits of ec50 for UniProtKB: P06213   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Insulin receptor


(Homo sapiens (human))
BDBM50092143
PNG
(2,5-Dihydroxy-3-(1H-indol-3-yl)-6-phenyl-[1,4]benz...)
Show SMILES O=C1C(c2c[nH]c3ccccc23)C(=O)C(=O)C(C1=O)c1ccccc1
Show InChI InChI=1S/C20H13NO4/c22-17-15(11-6-2-1-3-7-11)18(23)20(25)16(19(17)24)13-10-21-14-9-5-4-8-12(13)14/h1-10,15-16,21H
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n/an/an/an/a 300n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activation of human insulin receptor tyrosine kinase (IRTK)


J Med Chem 43: 3487-94 (2000)


Article DOI: 10.1021/jm000285q
BindingDB Entry DOI: 10.7270/Q2NV9HHG
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50092150
PNG
(2,5-Dihydroxy-3-(1-methyl-1H-indol-3-yl)-6-phenyl-...)
Show SMILES Cn1cc(C2C(=O)C(=O)C(C(=O)C2=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H15NO4/c1-22-11-14(13-9-5-6-10-15(13)22)17-20(25)18(23)16(19(24)21(17)26)12-7-3-2-4-8-12/h2-11,16-17H,1H3
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n/an/an/an/a 300n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activation of human insulin receptor tyrosine kinase (IRTK)


J Med Chem 43: 3487-94 (2000)


Article DOI: 10.1021/jm000285q
BindingDB Entry DOI: 10.7270/Q2NV9HHG
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50242742
PNG
(5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL...)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)
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PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of InsR by cellular assay


Proc Natl Acad Sci USA 104: 19936-41 (2007)


Article DOI: 10.1073/pnas.0707498104
BindingDB Entry DOI: 10.7270/Q24X58QS
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50092148
PNG
(2-Benzo[b]thiophen-3-yl-3,6-dihydroxy-5-phenyl-[1,...)
Show SMILES O=C1C(c2csc3ccccc23)C(=O)C(=O)C(C1=O)c1ccccc1
Show InChI InChI=1S/C20H12O4S/c21-17-15(11-6-2-1-3-7-11)18(22)20(24)16(19(17)23)13-10-25-14-9-5-4-8-12(13)14/h1-10,15-16H
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n/an/an/an/a 1.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activation of human insulin receptor tyrosine kinase (IRTK)


J Med Chem 43: 3487-94 (2000)


Article DOI: 10.1021/jm000285q
BindingDB Entry DOI: 10.7270/Q2NV9HHG
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50092146
PNG
(2-Benzofuran-3-yl-3,6-dihydroxy-5-phenyl-[1,4]benz...)
Show SMILES O=C1C(c2coc3ccccc23)C(=O)C(=O)C(C1=O)c1ccccc1
Show InChI InChI=1S/C20H12O5/c21-17-15(11-6-2-1-3-7-11)18(22)20(24)16(19(17)23)13-10-25-14-9-5-4-8-12(13)14/h1-10,15-16H
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n/an/an/an/a 1.50E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activation of human insulin receptor tyrosine kinase (IRTK)


J Med Chem 43: 3487-94 (2000)


Article DOI: 10.1021/jm000285q
BindingDB Entry DOI: 10.7270/Q2NV9HHG
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50242740
PNG
(CHEMBL459850 | N-(3-(7-Amino-1-methyl-2-oxo-1,2-di...)
Show SMILES CN1C(=O)N(Cc2cnc(N)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C22H19F3N6O2/c1-12-6-7-16(28-19(32)13-4-3-5-15(8-13)22(23,24)25)9-17(12)31-11-14-10-27-20(26)29-18(14)30(2)21(31)33/h3-10H,11H2,1-2H3,(H,28,32)(H2,26,27,29)
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n/an/an/an/a>2.00E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of InsR by cellular assay


Proc Natl Acad Sci USA 104: 19936-41 (2007)


Article DOI: 10.1073/pnas.0707498104
BindingDB Entry DOI: 10.7270/Q24X58QS
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50092149
PNG
(2-[2-(1,1-Dimethyl-allyl)-1H-indol-3-yl]-3,6-dihyd...)
Show SMILES CC(C)=CCc1cccc2c(c[nH]c12)C1C(=O)C(=O)C(c2c([nH]c3ccccc23)C(C)(C)C=C)C(=O)C1=O
Show InChI InChI=1S/C32H30N2O4/c1-6-32(4,5)31-23(20-11-7-8-13-22(20)34-31)25-29(37)27(35)24(28(36)30(25)38)21-16-33-26-18(15-14-17(2)3)10-9-12-19(21)26/h6-14,16,24-25,33-34H,1,15H2,2-5H3
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n/an/an/an/a 5.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activation of human insulin receptor tyrosine kinase (IRTK)


J Med Chem 43: 3487-94 (2000)


Article DOI: 10.1021/jm000285q
BindingDB Entry DOI: 10.7270/Q2NV9HHG
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50092147
PNG
(2,5-Dihydroxy-3-naphthalen-1-yl-6-phenyl-[1,4]benz...)
Show SMILES O=C1C(C(=O)C(=O)C(C1=O)c1cccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C22H14O4/c23-19-17(14-8-2-1-3-9-14)20(24)22(26)18(21(19)25)16-12-6-10-13-7-4-5-11-15(13)16/h1-12,17-18H
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n/an/an/an/a 6.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activation of human insulin receptor tyrosine kinase (IRTK)


J Med Chem 43: 3487-94 (2000)


Article DOI: 10.1021/jm000285q
BindingDB Entry DOI: 10.7270/Q2NV9HHG
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50092144
PNG
(2,5-Dihydroxy-3-(1H-indol-3-yl)-6-(7-methyl-1H-ind...)
Show SMILES Cc1cccc2c(c[nH]c12)C1C(=O)C(=O)C(c2c[nH]c3ccccc23)C(=O)C1=O
Show InChI InChI=1S/C23H16N2O4/c1-11-5-4-7-13-15(10-25-19(11)13)18-22(28)20(26)17(21(27)23(18)29)14-9-24-16-8-3-2-6-12(14)16/h2-10,17-18,24-25H,1H3
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PubMed
n/an/an/an/a 7.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activation of human insulin receptor tyrosine kinase (IRTK)


J Med Chem 43: 3487-94 (2000)


Article DOI: 10.1021/jm000285q
BindingDB Entry DOI: 10.7270/Q2NV9HHG
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50092145
PNG
(2,5-Dihydroxy-3-naphthalen-2-yl-6-phenyl-[1,4]benz...)
Show SMILES O=C1C(C(=O)C(=O)C(C1=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C22H14O4/c23-19-17(14-7-2-1-3-8-14)20(24)22(26)18(21(19)25)16-11-10-13-6-4-5-9-15(13)12-16/h1-12,17-18H
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PubMed
n/an/an/an/a 3.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activation of human insulin receptor tyrosine kinase (IRTK)


J Med Chem 43: 3487-94 (2000)


Article DOI: 10.1021/jm000285q
BindingDB Entry DOI: 10.7270/Q2NV9HHG
More data for this
Ligand-Target Pair