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Compile Data Set for Download or QSAR

Found 10 hits of ki 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))
BDBM50256480
PNG
(CHEMBL466397 | N-(2,6-difluorophenyl)-5-(3-(2-(5-e...)
Show SMILES CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C44H47F2N9O5S/c1-5-28-26-35(38(60-3)27-36(28)53-19-15-30(16-20-53)52-21-23-54(24-22-52)61(4,57)58)49-44-47-17-14-34(48-44)42-40(50-39-11-6-7-18-55(39)42)29-12-13-37(59-2)31(25-29)43(56)51-41-32(45)9-8-10-33(41)46/h6-14,17-18,25-27,30H,5,15-16,19-24H2,1-4H3,(H,51,56)(H,47,48,49)
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1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to insulin receptor by liquid scintillation counting


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50256478
PNG
(CHEMBL507714 | N-(2,6-difluorophenyl)-3-(3-(2-(2-m...)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C41H41F2N9O4S/c1-56-35-26-30(49-19-15-29(16-20-49)50-21-23-51(24-22-50)57(2,54)55)12-13-33(35)45-41-44-17-14-34(46-41)39-37(47-36-11-3-4-18-52(36)39)27-7-5-8-28(25-27)40(53)48-38-31(42)9-6-10-32(38)43/h3-14,17-18,25-26,29H,15-16,19-24H2,1-2H3,(H,48,53)(H,44,45,46)
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2.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to insulin receptor by liquid scintillation counting


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of IR


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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2.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor


J Nat Prod 55: 1529-1560 (1992)


Article DOI: 10.1021/np50089a001
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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4.10E+3n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50224883
PNG
(7-chloro-3-oxo-8-[(thiazol-5-ylmethyl)-amino]-11,1...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Show InChI InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29)
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>5.24E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of INSR


Bioorg Med Chem Lett 17: 6593-601 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.063
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50181669
PNG
(5-benzo[1,3]dioxol-5-yl-2-oxo-1,2-dihydro-pyridine...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)cc2)CC1
Show InChI InChI=1S/C25H26N4O4/c1-28-8-10-29(11-9-28)15-17-2-5-20(6-3-17)27-25(31)21-12-19(14-26-24(21)30)18-4-7-22-23(13-18)33-16-32-22/h2-7,12-14H,8-11,15-16H2,1H3,(H,26,30)(H,27,31)
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5.30E+3n/an/an/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against IRK


J Med Chem 49: 1006-15 (2006)


Article DOI: 10.1021/jm050824x
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50181670
PNG
(5-benzo[1,3]dioxol-5-yl-2-oxo-1,2-dihydro-pyridine...)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2cc(c[nH]c2=O)-c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C24H24N4O4/c1-27-8-10-28(11-9-27)19-5-3-18(4-6-19)26-24(30)20-12-17(14-25-23(20)29)16-2-7-21-22(13-16)32-15-31-21/h2-7,12-14H,8-11,15H2,1H3,(H,25,29)(H,26,30)
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8.80E+3n/an/an/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against IRK


J Med Chem 49: 1006-15 (2006)


Article DOI: 10.1021/jm050824x
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50181675
PNG
(5-benzo[1,3]dioxol-5-yl-2-oxo-1,2-dihydro-pyridine...)
Show SMILES CN1CCN(CCCc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)cc2)CC1
Show InChI InChI=1S/C27H30N4O4/c1-30-11-13-31(14-12-30)10-2-3-19-4-7-22(8-5-19)29-27(33)23-15-21(17-28-26(23)32)20-6-9-24-25(16-20)35-18-34-24/h4-9,15-17H,2-3,10-14,18H2,1H3,(H,28,32)(H,29,33)
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9.00E+3n/an/an/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against IRK


J Med Chem 49: 1006-15 (2006)


Article DOI: 10.1021/jm050824x
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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>1.00E+4n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
More data for this
Ligand-Target Pair