Found 12 hits of ic50 for UniProtKB: P14616 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Insulin receptor-related protein
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
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| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human IRR using MBP as substrate by [gamma-33P]-ATP assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2018.02.022
BindingDB Entry DOI: 10.7270/Q2DJ5KB8 |
More data for this
Ligand-Target Pair | |
Insulin receptor-related protein
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibition of human IRR using MBP as substrate by [gamma-33P]-ATP assay |
Eur J Med Chem 161: 456-467 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.052
BindingDB Entry DOI: 10.7270/Q2W380MT |
More data for this
Ligand-Target Pair | |
Insulin receptor-related protein
(Homo sapiens (Human)) | BDBM50462709
(CHEMBL4245507)Show SMILES O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C23H27N5O2S/c29-22(27-23-26-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-14-2-11-28-12-9-25-10-13-28/h1,3-8,15,17,25H,2,9-14,16H2,(H,26,27,29) | PDB
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| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of IRR (unknown origin) |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043
BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this
Ligand-Target Pair | |
Insulin receptor-related protein
(Homo sapiens (Human)) | BDBM50554817
(CHEMBL4764610)Show SMILES COc1cc2c(c(F)c1N1C[C@H](C)N(C)[C@H](C)C1)n(C(C)C)c1[nH]c3cc(ccc3c1c2=O)C#N |r| | PDB
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| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human INSRR |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01550
BindingDB Entry DOI: 10.7270/Q2KK9GG7 |
More data for this
Ligand-Target Pair | |
Insulin receptor-related protein
(Homo sapiens (Human)) | BDBM50347388
(CHEMBL1234833)Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12 |r| Show InChI InChI=1S/C20H27N5O3/c1-13(2)15-10-22-25-19(21-9-14-6-4-3-5-7-14)8-18(24-20(15)25)23-16(11-26)17(28)12-27/h3-8,10,13,16-17,21,26-28H,9,11-12H2,1-2H3,(H,23,24)/t16-,17+/m0/s1 | PDB
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| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Imperial College London
Curated by ChEMBL
| Assay Description
Inhibition of IRR |
J Med Chem 53: 8508-22 (2010)
Article DOI: 10.1021/jm100732t
BindingDB Entry DOI: 10.7270/Q2B858GZ |
More data for this
Ligand-Target Pair | |
Insulin receptor-related protein
(Homo sapiens (Human)) | BDBM50519662
(CHEMBL4438748)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1 Show InChI InChI=1S/C26H23N3O5/c1-29(2)20-8-6-17(7-9-20)26(32)28-19-5-3-4-18(14-19)27-25(31)16-34-21-10-11-22-23(30)12-13-33-24(22)15-21/h3-15H,16H2,1-2H3,(H,27,31)(H,28,32) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IRR (943 to 1266 residues) using myelin basic protein as substrate after 40 mins by [gamma-33ATP] by radiometric scin... |
J Med Chem 62: 10691-10710 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG |
More data for this
Ligand-Target Pair | |
Insulin receptor-related protein
(Homo sapiens (Human)) | BDBM50305006
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12 Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of INSR |
Bioorg Med Chem Lett 20: 334-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ |
More data for this
Ligand-Target Pair | |
Insulin receptor-related protein
(Homo sapiens (Human)) | BDBM50135286
(CHEMBL3745885)Show SMILES Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F Show InChI InChI=1S/C22H15F2N5O3S/c1-29-20-13(9-19(21(29)30)33(31,32)18-5-2-14(23)10-16(18)24)11-26-22(28-20)27-15-3-4-17-12(8-15)6-7-25-17/h2-11,25H,1H3,(H,26,27,28) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of human IRR using MBP as substrate |
Bioorg Med Chem 24: 521-44 (2016)
Article DOI: 10.1016/j.bmc.2015.11.045
BindingDB Entry DOI: 10.7270/Q24Q7WT8 |
More data for this
Ligand-Target Pair | |
Insulin receptor-related protein
(Homo sapiens (Human)) | BDBM50359359
(CHEMBL1929238)Show SMILES CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C Show InChI InChI=1S/C25H33Cl2N5O3S/c1-25(2,3)19-15-16(22(36-19)29-24(35)28-18-8-6-7-17(26)21(18)27)23(34)32-10-9-20(33)31(13-14-32)12-11-30(4)5/h6-8,15H,9-14H2,1-5H3,(H2,28,29,35) | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of IRR |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair | |
Insulin receptor-related protein
(Homo sapiens (Human)) | BDBM13533
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of IRR |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair | |
Insulin receptor-related protein
(Homo sapiens (Human)) | BDBM50537742
(CHEMBL4634634 | US11179389, Compound 1-14)Show SMILES C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r| Show InChI InChI=1S/C19H23N7O/c1-12-6-15(12)19(27)26-5-4-25(10-13(26)2)17-9-21-16(7-20)18(23-17)14-8-22-24(3)11-14/h8-9,11-13,15H,4-6,10H2,1-3H3/t12-,13-,15-/m1/s1 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged INSRR cytoplasmic domain expressed in baculovirus expression system using tyrosine-1 peptide as substrate ... |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126715
BindingDB Entry DOI: 10.7270/Q2HM5CZG |
More data for this
Ligand-Target Pair | |
Insulin receptor-related protein
(Homo sapiens (Human)) | BDBM50331612
(CHEMBL1290072 | N-(4-methoxybenzyl)benzofuro[2,3-b...)Show InChI InChI=1S/C19H16N2O2/c1-22-14-8-6-13(7-9-14)12-21-16-10-11-20-19-18(16)15-4-2-3-5-17(15)23-19/h2-11H,12H2,1H3,(H,20,21) | PDB
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| n/a | n/a | 1.82E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Martin Luther University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Inhibition of human InsRR |
Bioorg Med Chem Lett 20: 6915-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.004
BindingDB Entry DOI: 10.7270/Q2GF0TQS |
More data for this
Ligand-Target Pair | |
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