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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 |(7.38,-5.53,;7.38,-3.99,;6.05,-3.23,;4.72,-4,;5.21,-5.44,;3.97,-6.37,;2.74,-5.49,;1.22,-5.83,;.15,-4.69,;.61,-3.18,;2.15,-2.85,;3.2,-4,;6.05,-1.69,;4.72,-.92,;7.38,-.91,;7.38,.63,;8.71,-1.69,;8.71,-3.23,;10.04,-4,;10.04,-.92,;10.04,.62,;11.37,1.39,;12.72,.61,;12.7,-.93,;11.37,-1.69,)|
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)

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 |(5.37,-8.94,;5.35,-7.4,;6.59,-6.49,;6.1,-5.04,;7.43,-4.27,;8.76,-5.02,;8.76,-6.56,;10.09,-4.27,;11.42,-5.04,;10.09,-2.73,;8.76,-1.94,;8.76,-.4,;7.43,-2.73,;6.1,-1.96,;11.42,-1.96,;12.75,-2.74,;14.08,-1.97,;14.09,-.43,;12.75,.34,;11.42,-.43,;4.58,-5.04,;3.52,-3.88,;1.99,-4.23,;1.52,-5.72,;2.6,-6.87,;4.11,-6.53,)|
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)

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
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 |(8.69,-8.66,;8.69,-7.12,;7.37,-6.35,;6.03,-7.12,;6.52,-8.59,;5.28,-9.5,;4.04,-8.62,;2.53,-8.97,;1.47,-7.82,;1.94,-6.32,;3.46,-5.98,;4.51,-7.12,;7.37,-4.81,;6.03,-4.04,;8.69,-4.04,;8.69,-2.5,;10.02,-4.81,;10.02,-6.35,;11.36,-7.12,;11.36,-4.04,;11.35,-2.52,;12.68,-1.75,;14.03,-2.53,;14.02,-4.07,;12.68,-4.83,)|
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)

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 |(8.69,-8.66,;8.69,-7.12,;7.37,-6.35,;6.03,-7.12,;6.52,-8.59,;5.28,-9.5,;4.04,-8.62,;2.53,-8.97,;1.47,-7.82,;1.94,-6.32,;3.46,-5.98,;4.51,-7.12,;7.37,-4.81,;6.03,-4.04,;8.69,-4.04,;8.69,-2.5,;10.02,-4.81,;10.02,-6.35,;11.36,-7.12,;11.36,-4.04,;11.35,-2.52,;12.68,-1.75,;14.03,-2.53,;14.02,-4.07,;12.68,-4.83,)|
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)

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
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 |(5.39,-12.8,;3.74,-12.6,;3.36,-14.14,;2.66,-11.5,;2.67,-9.96,;3.99,-9.21,;3.29,-7.84,;4.11,-6.54,;5.65,-6.61,;6.37,-7.96,;7.86,-8.35,;7.97,-9.89,;6.54,-10.48,;5.53,-9.28,;9.05,-7.37,;10.38,-8.12,;10.37,-9.66,;11.71,-7.37,;13.04,-8.14,;11.71,-5.83,;14.18,-4.18,;14.07,-2.64,;15.49,-2.07,;16.47,-3.25,;18.01,-3.3,;18.74,-4.65,;17.93,-5.97,;16.39,-5.91,;15.65,-4.55,;12.76,-1.83,;11.85,-.63,;12.26,-2.96,;13.9,-.78,;13.94,.76,;10.38,-5.04,;10.37,-3.51,;9.05,-5.83,;7.72,-5.06,)|
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)

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 |(8.71,-2.51,;8.71,-4.05,;10.04,-4.82,;10.04,-6.37,;11.39,-7.14,;8.71,-7.14,;8.71,-8.68,;7.39,-6.37,;7.39,-4.82,;6.04,-4.05,;6.04,-7.14,;6.06,-8.68,;4.73,-9.45,;3.37,-8.68,;3.37,-7.14,;2.06,-6.38,;2.04,-4.85,;3.39,-4.08,;4.71,-4.85,;4.71,-6.38,;11.39,-4.05,;11.37,-2.53,;12.7,-1.75,;14.06,-2.53,;14.05,-4.08,;12.7,-4.84,)|
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)

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 |(.75,-7.3,;1.22,-5.83,;.15,-4.69,;.61,-3.18,;2.15,-2.85,;3.2,-4,;4.72,-4,;5.21,-5.44,;3.97,-6.37,;2.74,-5.49,;6.05,-3.23,;6.05,-1.69,;4.72,-.92,;7.38,-.91,;7.38,.63,;8.71,-1.69,;10.04,-.92,;10.22,.65,;11.72,.96,;12.47,-.4,;13.96,-.72,;14.43,-2.18,;13.39,-3.32,;11.88,-2.99,;11.43,-1.52,;8.71,-3.23,;10.04,-4,;7.38,-3.99,;7.38,-5.53,)|
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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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)

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 |(8.71,-2.51,;8.71,-4.05,;10.04,-4.82,;10.04,-6.37,;11.39,-7.14,;8.71,-7.14,;8.71,-8.68,;7.39,-6.37,;7.39,-4.82,;6.04,-4.05,;6.04,-7.14,;6.06,-8.68,;4.73,-9.45,;3.37,-8.68,;2.06,-9.45,;.72,-8.68,;.72,-7.14,;2.06,-6.38,;3.37,-7.15,;4.71,-6.38,;11.39,-4.05,;11.37,-2.53,;12.7,-1.75,;14.06,-2.53,;14.05,-4.08,;12.7,-4.84,)|
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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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)

More data for this
Ligand-Target Pair