Found 3 hits Enz. Inhib. hit(s) with Target = 'Insulin receptor' and Ligand = 'BDBM50157628' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Insulin receptor
(Homo sapiens (Human)) | BDBM50157628
(CHEMBL3786167)Show SMILES CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cccc(OC[C@@H]3CCCO3)c2F)c2c(N)ncnc12 |r,wD:11.14,23.24,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)| Show InChI InChI=1S/C27H33FN6O3/c1-17(35)32-7-9-33(10-8-32)18-12-19(13-18)34-14-22(24-26(29)30-16-31-27(24)34)21-5-2-6-23(25(21)28)37-15-20-4-3-11-36-20/h2,5-6,14,16,18-20H,3-4,7-13,15H2,1H3,(H2,29,30,31)/t18-,19+,20-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of full length insulin receptor (unknown origin) transfected in Ba/F3 cells assessed as cell proliferation |
Bioorg Med Chem Lett 26: 2057-64 (2016)
Article DOI: 10.1016/j.bmcl.2016.02.075 BindingDB Entry DOI: 10.7270/Q29K4D4J |
More data for this Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50157628
(CHEMBL3786167)Show SMILES CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cccc(OC[C@@H]3CCCO3)c2F)c2c(N)ncnc12 |r,wD:11.14,23.24,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)| Show InChI InChI=1S/C27H33FN6O3/c1-17(35)32-7-9-33(10-8-32)18-12-19(13-18)34-14-22(24-26(29)30-16-31-27(24)34)21-5-2-6-23(25(21)28)37-15-20-4-3-11-36-20/h2,5-6,14,16,18-20H,3-4,7-13,15H2,1H3,(H2,29,30,31)/t18-,19+,20-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of insulin receptor (unknown origin) in presence of [gamma33P]ATP |
Bioorg Med Chem Lett 26: 2057-64 (2016)
Article DOI: 10.1016/j.bmcl.2016.02.075 BindingDB Entry DOI: 10.7270/Q29K4D4J |
More data for this Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50157628
(CHEMBL3786167)Show SMILES CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cccc(OC[C@@H]3CCCO3)c2F)c2c(N)ncnc12 |r,wD:11.14,23.24,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)| Show InChI InChI=1S/C27H33FN6O3/c1-17(35)32-7-9-33(10-8-32)18-12-19(13-18)34-14-22(24-26(29)30-16-31-27(24)34)21-5-2-6-23(25(21)28)37-15-20-4-3-11-36-20/h2,5-6,14,16,18-20H,3-4,7-13,15H2,1H3,(H2,29,30,31)/t18-,19+,20-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of full length insulin receptor (unknown origin) autophosphorylation transfected in HEK293 cells pretreated for 60 mins followed by IGF-1 ... |
Bioorg Med Chem Lett 26: 2057-64 (2016)
Article DOI: 10.1016/j.bmcl.2016.02.075 BindingDB Entry DOI: 10.7270/Q29K4D4J |
More data for this Ligand-Target Pair | |