Found 3 hits Enz. Inhib. hit(s) with Target = 'Insulin receptor' and Ligand = 'BDBM50157881' 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)) | BDBM50157881
(CHEMBL3787614)Show SMILES Nc1ncnc2n(cc(-c3cccc(OC[C@@H]4CCCO4)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:23.26,16.15,25.29,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;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,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)| Show InChI InChI=1S/C25H31N5O2/c26-24-23-22(18-4-1-5-20(12-18)32-15-21-6-2-9-31-21)14-30(25(23)28-16-27-24)19-10-17(11-19)13-29-7-3-8-29/h1,4-5,12,14,16-17,19,21H,2-3,6-11,13,15H2,(H2,26,27,28)/t17-,19+,21-/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 | 64 | 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)) | BDBM50157881
(CHEMBL3787614)Show SMILES Nc1ncnc2n(cc(-c3cccc(OC[C@@H]4CCCO4)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:23.26,16.15,25.29,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;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,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)| Show InChI InChI=1S/C25H31N5O2/c26-24-23-22(18-4-1-5-20(12-18)32-15-21-6-2-9-31-21)14-30(25(23)28-16-27-24)19-10-17(11-19)13-29-7-3-8-29/h1,4-5,12,14,16-17,19,21H,2-3,6-11,13,15H2,(H2,26,27,28)/t17-,19+,21-/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 | 930 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of Ins receptor (unknown origin) |
Bioorg Med Chem Lett 26: 2065-7 (2016)
Article DOI: 10.1016/j.bmcl.2016.02.074 BindingDB Entry DOI: 10.7270/Q21Z469M |
More data for this Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50157881
(CHEMBL3787614)Show SMILES Nc1ncnc2n(cc(-c3cccc(OC[C@@H]4CCCO4)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:23.26,16.15,25.29,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;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,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)| Show InChI InChI=1S/C25H31N5O2/c26-24-23-22(18-4-1-5-20(12-18)32-15-21-6-2-9-31-21)14-30(25(23)28-16-27-24)19-10-17(11-19)13-29-7-3-8-29/h1,4-5,12,14,16-17,19,21H,2-3,6-11,13,15H2,(H2,26,27,28)/t17-,19+,21-/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 | 930 | 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 | |